| [N'-(3-Eth-oxy-2-oxidobenzyl-idene)-4-hy-droxy-3-meth-oxy-benzohydrazidato](methanol)dioxidomolybdenum(VI). | |
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MedLine Citation:
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PMID: 22589757 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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In the title dioxidomolybdenum(VI) complex, [Mo(C(17)H(16)N(2)O(5))O(2)(CH(3)OH)], the Mo(VI) atom is coordinated by the phenolate O, imine N and enolic O atoms of the tridentate hydrazone ligand, one methanol O atom, and two oxide O atoms, forming a distorted octa-hedral coordination geometry. The oxide O atoms adopt a cis conformation: one is trans to the methanol O atom and the other is trans to the ligand N atom. The dihedral angle between the two benzene rings in the hydrazone ligand is 4.0 (3)°. In the crystal, mol-ecules are linked by O-H⋯N and O-H⋯O hydrogen bonds. |
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Authors:
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Shou-Xing Wang |
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Publication Detail:
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Type: Journal Article Date: 2012-03-03 |
Journal Detail:
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Title: Acta crystallographica. Section E, Structure reports online Volume: 68 ISSN: 1600-5368 ISO Abbreviation: Acta Crystallogr Sect E Struct Rep Online Publication Date: 2012 Apr |
Date Detail:
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Created Date: 2012-05-16 Completed Date: - Revised Date: - |
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Nlm Unique ID: 101089178 Medline TA: Acta Crystallogr Sect E Struct Rep Online Country: United States |
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Languages: eng Pagination: m358-9 Citation Subset: - |
Affiliation:
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Laboratory Management Center, Zaozhuang University, Zaozhuang 277160, People's Republic of China. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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Journal Information Journal ID (nlm-ta): Acta Crystallogr Sect E Struct Rep Online Journal ID (iso-abbrev): Acta Crystallogr Sect E Struct Rep Online Journal ID (publisher-id): Acta Cryst. E ISSN: 1600-5368 Publisher: International Union of Crystallography |
Article Information Download PDF  A full version of this article is available from Crystallography Journals Online.© Shou-Xing Wang 2012 open-access: Received Day: 24 Month: 2 Year: 2012 Accepted Day: 26 Month: 2 Year: 2012 collection publication date: Day: 01 Month: 4 Year: 2012 Electronic publication date: Day: 03 Month: 3 Year: 2012 pmc-release publication date: Day: 03 Month: 3 Year: 2012 Volume: 68 Issue: Pt 4 First Page: m358 Last Page: m359 ID: 3343783 PubMed Id: 22589757 Publisher Id: hb6656 DOI: 10.1107/S1600536812008549 Coden: ACSEBH Publisher Item Identifier: S1600536812008549 |
| [N′-(3-Ethoxy-2-oxidobenzylidene)-4-hydroxy-3-methoxybenzohydrazidato](methanol)dioxidomolybdenum(VI) Alternate Title:[Mo(C17H16N2O5)O2(CH4O)] | |
| Shou-Xing Wanga* | |
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aLaboratory Management Center, Zaozhuang University, Zaozhuang 277160, People’s Republic of China |
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| Correspondence: Correspondence e-mail: shouxing_wang@126.com |
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Related literature
For background to molybdenum complexes with hydrazone ligands, see: Dinda et al. (2003 ▶); Vrdoljak et al. (2005 ▶); Debel et al. (2008 ▶). For similar complexes, see: Sheikhshoaie et al. (2011 ▶); Gao et al. (2004 ▶); Saeednia et al. (2009 ▶).[Chemical Structure ID: scheme1]
Experimental
Crystal data
- [Mo(C17H16N2O5)O2(CH4O)]
- Mr = 488.30
- Monoclinic,
- a = 10.054 (2) Å
- b = 16.401 (3) Å
- c = 12.233 (3) Å
- β = 101.946 (2)°
- V = 1973.5 (7) Å3
- Z = 4
- Mo Kα radiation
- μ = 0.71 mm−1
- T = 298 K
- 0.23 × 0.21 × 0.20 mm
Data collection
- Bruker SMART CCD diffractometer
- Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) Tmin = 0.853, Tmax = 0.871
- 11140 measured reflections
- 4300 independent reflections
- 3162 reflections with I > 2σ(I)
- Rint = 0.040
Refinement
- R[F2 > 2σ(F2)] = 0.044
- wR(F2) = 0.093
- S = 1.03
- 4300 reflections
- 269 parameters
- 1 restraint
- H atoms treated by a mixture of independent and constrained refinement
- Δρmax = 0.62 e Å−3
- Δρmin = −0.69 e Å−3
Data collection: SMART (Bruker, 1998 ▶); cell refinement: SAINT (Bruker, 1998 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.
Supplementary Material
Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812008549/hb6656sup1.cif
Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812008549/hb6656Isup2.hkl
Additional supplementary materials: crystallographic information; 3D view; checkCIF report
Notes
fnu1Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB6656).
The author thanks Zaozhuang University for support.
supplementary crystallographic
information
Comment
Molybdenum complexes with hydrazones have received much attention for their structures and catalytic properties (Dinda et al., 2003; Vrdoljak et al., 2005; Debel et al., 2008). In the present work, the author reports the title new dioxomolybdenum(VI) complex with a new hydrazone ligand N'-[(3-ethoxy-2-hydroxybenzylidene]-4-hydroxy-3- methoxybenzohydrazide.
In the title complex, Fig. 1, the Mo atom is six-coordinated by the phenolate O, imine N, and enolic O atoms of the hydrazone ligand, one methanol O atom, and two oxide O atoms, forming an octahedral geometry. The dihedral angle between the two benzene rings in the hydrazone ligand is 4.0 (3)°. The lengths of Mo—O and Mo—N bonds (Table 1) are within normal values (Sheikhshoaie et al., 2011; Gao et al., 2004; Saeednia et al., 2009). The crystal of the complex features intermolecular O—H···N and O—H···O hydrogen bonds (Table 2, Fig. 2).
Experimental
The title compound was obtained by stirring 3-ethoxysalicylaldehyde (0.1 mmol, 16.6 mg), 4-hydroxy-3-methoxybenzohydrazide (0.1 mmol, 18.2 mg), and MoO2(acac)2 (0.1 mmol, 32.6 mg) in methanol (20 ml) for 30 min. The reaction mixture was then filtered. Yellow block-shaped single crystals were formed from the filtrate after a week.
Refinement
The methanol H atom was located from a difference Fourier map and refined isotropically, with O—H distance restrained to 0.85 (1) Å. The remaining hydrogen atoms were placed in geometrically idealized positions and constrained to ride on their parent atoms, with C—H distances in the range 0.93–0.97 Å, O—H distance of 0.82 Å, and with Uiso(H) set at 1.2 or 1.5Ueq(C, O).
Figures
Crystal data
Data collection
Refinement
Special details
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)
Atomic displacement parameters (Å2)
Geometric parameters (Å, º)
Hydrogen-bond geometry (Å, º)
Symmetry codes: (i) −x+1, −y, −z+1; (ii) x+1, −y+1/2, z+1/2.
References
| Bruker (1998). SMART and SAINT Bruker AXS Inc., Madison, Wisconsin, USA. | |
| Debel, R., Buchholz, A. & Plass, W. (2008). Z. Anorg. Allg. Chem.634, 2291–2298. | |
| Dinda, R., Sengupta, P., Ghosh, S. & Sheldrick, W. S. (2003). Eur. J. Inorg. Chem. pp. 363–369. | |
| Gao, S., Zhang, X.-F., Huo, L.-H. & Zhao, H. (2004). Acta Cryst. E60, m1731–m1733. | |
| Saeednia, S., Sheikhshoaie, I. & Stoeckli-Evans, H. (2009). Acta Cryst. E65, m1591. | |
| Sheikhshoaie, I., Langer, V. & Yasrebi, S. A. (2011). Acta Cryst. E67, m839–m840. | |
| Sheldrick, G. M. (1996). SADABS University of Göttingen, Germany. | |
| Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. | |
| Vrdoljak, V., Cindric, M., Matkovic-Calogovic, D., Prugovecki, B., Novak, P. & Kamenar, B. (2005). Z. Anorg. Allg. Chem.631, 928–936. |
Figures
[Figure ID: Fap1] |
Fig. 1.
The molecular structure of the title complex, showing displacement ellipsoids drawn at the 30% probability level. |
[Figure ID: Fap2] |
Fig. 2.
The molecular packing structure of the title complex, viewed along the a axis. Hydrogen bonds are drawn as dashed lines. |
Tables
[TableWrap ID: d1e140]
| [Mo(C17H16N2O5)O2(CH4O)] | F(000) = 992 |
| Mr = 488.30 | Dx = 1.643 Mg m−3 |
| Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
| a = 10.054 (2) Å | Cell parameters from 2809 reflections |
| b = 16.401 (3) Å | θ = 2.7–25.1° |
| c = 12.233 (3) Å | µ = 0.71 mm−1 |
| β = 101.946 (2)° | T = 298 K |
| V = 1973.5 (7) Å3 | Block, yellow |
| Z = 4 | 0.23 × 0.21 × 0.20 mm |
[TableWrap ID: d1e274]
| Bruker SMART CCD diffractometer | 4300 independent reflections |
| Radiation source: fine-focus sealed tube | 3162 reflections with I > 2σ(I) |
| Graphite monochromator | Rint = 0.040 |
| ω scan | θmax = 27.0°, θmin = 2.1° |
| Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −12→10 |
| Tmin = 0.853, Tmax = 0.871 | k = −13→20 |
| 11140 measured reflections | l = −15→15 |
[TableWrap ID: d1e388]
| Refinement on F2 | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.044 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.093 | H atoms treated by a mixture of independent and constrained refinement |
| S = 1.03 | w = 1/[σ2(Fo2) + (0.0346P)2 + 1.5131P] where P = (Fo2 + 2Fc2)/3 |
| 4300 reflections | (Δ/σ)max < 0.001 |
| 269 parameters | Δρmax = 0.62 e Å−3 |
| 1 restraint | Δρmin = −0.69 e Å−3 |
[TableWrap ID: d1e545]
| Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
| Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
[TableWrap ID: d1e644]
| x | y | z | Uiso*/Ueq | ||
| Mo1 | 0.20815 (3) | 0.10239 (2) | 0.35081 (2) | 0.02894 (11) | |
| N1 | 0.4173 (3) | 0.05321 (18) | 0.3574 (2) | 0.0250 (7) | |
| N2 | 0.5200 (3) | 0.08381 (18) | 0.4423 (2) | 0.0260 (7) | |
| O1 | 0.1607 (2) | 0.00584 (16) | 0.2626 (2) | 0.0354 (6) | |
| O2 | −0.0005 (3) | −0.07464 (17) | 0.1042 (2) | 0.0449 (7) | |
| O3 | 0.3379 (2) | 0.15737 (15) | 0.4761 (2) | 0.0332 (6) | |
| O4 | 0.9131 (2) | 0.23736 (17) | 0.7064 (2) | 0.0410 (7) | |
| O5 | 0.7908 (3) | 0.3165 (2) | 0.8463 (2) | 0.0507 (8) | |
| H5 | 0.8685 | 0.3204 | 0.8357 | 0.076* | |
| O6 | 0.2310 (3) | 0.00410 (17) | 0.4948 (2) | 0.0357 (6) | |
| O7 | 0.0629 (2) | 0.12772 (16) | 0.3944 (2) | 0.0381 (7) | |
| O8 | 0.2216 (3) | 0.16890 (18) | 0.2489 (2) | 0.0459 (7) | |
| C1 | 0.3597 (4) | −0.0307 (2) | 0.1922 (3) | 0.0337 (9) | |
| C2 | 0.2189 (4) | −0.0313 (2) | 0.1862 (3) | 0.0307 (9) | |
| C3 | 0.1332 (4) | −0.0746 (2) | 0.0993 (3) | 0.0355 (9) | |
| C4 | 0.1891 (4) | −0.1132 (3) | 0.0195 (3) | 0.0460 (11) | |
| H4 | 0.1330 | −0.1412 | −0.0384 | 0.055* | |
| C5 | 0.3281 (5) | −0.1108 (3) | 0.0245 (3) | 0.0519 (12) | |
| H5A | 0.3638 | −0.1364 | −0.0309 | 0.062* | |
| C6 | 0.4132 (4) | −0.0715 (3) | 0.1099 (3) | 0.0440 (11) | |
| H6A | 0.5065 | −0.0717 | 0.1134 | 0.053* | |
| C7 | −0.0893 (4) | −0.1285 (3) | 0.0308 (4) | 0.0546 (13) | |
| H7A | −0.0566 | −0.1842 | 0.0420 | 0.065* | |
| H7B | −0.0922 | −0.1136 | −0.0464 | 0.065* | |
| C8 | 0.4533 (4) | 0.0069 (2) | 0.2837 (3) | 0.0318 (9) | |
| H8 | 0.5456 | −0.0029 | 0.2898 | 0.038* | |
| C9 | 0.4682 (3) | 0.1391 (2) | 0.4979 (3) | 0.0261 (8) | |
| C10 | 0.5546 (3) | 0.1847 (2) | 0.5889 (3) | 0.0251 (8) | |
| C11 | 0.6961 (3) | 0.1855 (2) | 0.6019 (3) | 0.0276 (8) | |
| H11 | 0.7371 | 0.1563 | 0.5527 | 0.033* | |
| C12 | 0.7752 (3) | 0.2295 (2) | 0.6876 (3) | 0.0288 (8) | |
| C13 | 0.7136 (4) | 0.2728 (2) | 0.7621 (3) | 0.0347 (9) | |
| C14 | 0.5754 (4) | 0.2711 (3) | 0.7500 (3) | 0.0431 (11) | |
| H14 | 0.5351 | 0.2992 | 0.8007 | 0.052* | |
| C15 | 0.4948 (4) | 0.2285 (2) | 0.6640 (3) | 0.0357 (9) | |
| H15 | 0.4008 | 0.2289 | 0.6560 | 0.043* | |
| C16 | 0.9849 (4) | 0.1843 (3) | 0.6466 (4) | 0.0459 (11) | |
| H16A | 0.9636 | 0.1287 | 0.6605 | 0.069* | |
| H16B | 1.0809 | 0.1931 | 0.6708 | 0.069* | |
| H16C | 0.9585 | 0.1955 | 0.5680 | 0.069* | |
| C17 | 0.1822 (5) | 0.0181 (3) | 0.5950 (4) | 0.0558 (12) | |
| H17A | 0.2257 | 0.0655 | 0.6322 | 0.084* | |
| H17B | 0.2025 | −0.0284 | 0.6433 | 0.084* | |
| H17C | 0.0857 | 0.0265 | 0.5767 | 0.084* | |
| C18 | −0.2272 (5) | −0.1219 (3) | 0.0562 (4) | 0.0709 (16) | |
| H18A | −0.2235 | −0.1373 | 0.1325 | 0.106* | |
| H18B | −0.2886 | −0.1574 | 0.0076 | 0.106* | |
| H18C | −0.2586 | −0.0666 | 0.0450 | 0.106* | |
| H6 | 0.303 (3) | −0.024 (3) | 0.511 (4) | 0.080* |
[TableWrap ID: d1e1334]
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Mo1 | 0.02297 (16) | 0.0324 (2) | 0.02923 (16) | 0.00327 (15) | 0.00036 (11) | −0.00289 (16) |
| N1 | 0.0226 (14) | 0.0258 (18) | 0.0255 (14) | 0.0006 (13) | 0.0022 (11) | −0.0011 (13) |
| N2 | 0.0231 (14) | 0.0284 (19) | 0.0250 (14) | −0.0023 (13) | 0.0014 (12) | −0.0044 (13) |
| O1 | 0.0278 (13) | 0.0443 (17) | 0.0327 (13) | −0.0031 (12) | 0.0028 (11) | −0.0133 (12) |
| O2 | 0.0377 (16) | 0.0480 (19) | 0.0451 (16) | −0.0068 (13) | 0.0001 (13) | −0.0127 (14) |
| O3 | 0.0254 (13) | 0.0348 (16) | 0.0366 (14) | 0.0043 (11) | 0.0001 (11) | −0.0101 (12) |
| O4 | 0.0257 (13) | 0.0491 (19) | 0.0464 (16) | −0.0047 (13) | 0.0033 (12) | −0.0179 (14) |
| O5 | 0.0381 (16) | 0.067 (2) | 0.0477 (17) | −0.0168 (16) | 0.0106 (13) | −0.0329 (16) |
| O6 | 0.0380 (15) | 0.0371 (17) | 0.0331 (14) | 0.0124 (12) | 0.0094 (12) | 0.0000 (12) |
| O7 | 0.0253 (13) | 0.0424 (17) | 0.0457 (15) | 0.0103 (12) | 0.0055 (11) | −0.0024 (13) |
| O8 | 0.0429 (16) | 0.0486 (19) | 0.0431 (16) | 0.0050 (14) | 0.0017 (13) | 0.0102 (14) |
| C1 | 0.035 (2) | 0.033 (2) | 0.0323 (19) | 0.0005 (18) | 0.0052 (16) | −0.0063 (17) |
| C2 | 0.036 (2) | 0.030 (2) | 0.0248 (18) | 0.0018 (17) | 0.0026 (15) | −0.0005 (16) |
| C3 | 0.039 (2) | 0.031 (2) | 0.034 (2) | −0.0017 (18) | 0.0019 (17) | −0.0013 (17) |
| C4 | 0.051 (3) | 0.047 (3) | 0.038 (2) | −0.003 (2) | 0.0029 (19) | −0.017 (2) |
| C5 | 0.055 (3) | 0.060 (3) | 0.042 (2) | 0.004 (2) | 0.014 (2) | −0.024 (2) |
| C6 | 0.036 (2) | 0.053 (3) | 0.044 (2) | 0.004 (2) | 0.0085 (18) | −0.015 (2) |
| C7 | 0.050 (3) | 0.050 (3) | 0.055 (3) | −0.007 (2) | −0.011 (2) | −0.014 (2) |
| C8 | 0.0244 (18) | 0.038 (2) | 0.0326 (19) | 0.0040 (17) | 0.0042 (15) | −0.0066 (18) |
| C9 | 0.0266 (18) | 0.027 (2) | 0.0237 (17) | −0.0015 (16) | 0.0028 (14) | 0.0021 (16) |
| C10 | 0.0284 (18) | 0.021 (2) | 0.0251 (16) | 0.0006 (15) | 0.0035 (14) | 0.0007 (15) |
| C11 | 0.0303 (18) | 0.027 (2) | 0.0261 (17) | 0.0027 (16) | 0.0081 (14) | −0.0029 (16) |
| C12 | 0.0262 (18) | 0.029 (2) | 0.0297 (18) | −0.0013 (16) | 0.0019 (15) | 0.0006 (16) |
| C13 | 0.035 (2) | 0.039 (3) | 0.0302 (19) | −0.0065 (18) | 0.0065 (16) | −0.0095 (18) |
| C14 | 0.040 (2) | 0.050 (3) | 0.042 (2) | 0.001 (2) | 0.0143 (18) | −0.018 (2) |
| C15 | 0.0254 (19) | 0.040 (3) | 0.042 (2) | −0.0021 (17) | 0.0084 (16) | −0.0104 (19) |
| C16 | 0.031 (2) | 0.051 (3) | 0.058 (3) | 0.001 (2) | 0.0139 (19) | −0.009 (2) |
| C17 | 0.050 (3) | 0.062 (3) | 0.059 (3) | 0.009 (2) | 0.021 (2) | 0.007 (3) |
| C18 | 0.046 (3) | 0.082 (4) | 0.078 (4) | −0.014 (3) | −0.001 (3) | −0.011 (3) |
[TableWrap ID: d1e1892]
| Mo1—O8 | 1.683 (3) | C5—C6 | 1.367 (5) |
| Mo1—O7 | 1.707 (2) | C5—H5A | 0.9300 |
| Mo1—O1 | 1.920 (2) | C6—H6A | 0.9300 |
| Mo1—O3 | 2.009 (2) | C7—C18 | 1.487 (6) |
| Mo1—N1 | 2.238 (3) | C7—H7A | 0.9700 |
| Mo1—O6 | 2.364 (3) | C7—H7B | 0.9700 |
| N1—C8 | 1.286 (4) | C8—H8 | 0.9300 |
| N1—N2 | 1.398 (4) | C9—C10 | 1.467 (4) |
| N2—C9 | 1.305 (4) | C10—C15 | 1.397 (5) |
| O1—C2 | 1.347 (4) | C10—C11 | 1.399 (5) |
| O2—C3 | 1.358 (4) | C11—C12 | 1.380 (5) |
| O2—C7 | 1.432 (4) | C11—H11 | 0.9300 |
| O3—C9 | 1.316 (4) | C12—C13 | 1.398 (5) |
| O4—C12 | 1.364 (4) | C13—C14 | 1.366 (5) |
| O4—C16 | 1.425 (4) | C14—C15 | 1.378 (5) |
| O5—C13 | 1.360 (4) | C14—H14 | 0.9300 |
| O5—H5 | 0.8200 | C15—H15 | 0.9300 |
| O6—C17 | 1.430 (5) | C16—H16A | 0.9600 |
| O6—H6 | 0.847 (10) | C16—H16B | 0.9600 |
| C1—C2 | 1.402 (5) | C16—H16C | 0.9600 |
| C1—C6 | 1.405 (5) | C17—H17A | 0.9600 |
| C1—C8 | 1.444 (5) | C17—H17B | 0.9600 |
| C2—C3 | 1.413 (5) | C17—H17C | 0.9600 |
| C3—C4 | 1.377 (5) | C18—H18A | 0.9600 |
| C4—C5 | 1.386 (6) | C18—H18B | 0.9600 |
| C4—H4 | 0.9300 | C18—H18C | 0.9600 |
| O8—Mo1—O7 | 106.19 (13) | C18—C7—H7A | 110.1 |
| O8—Mo1—O1 | 99.61 (12) | O2—C7—H7B | 110.1 |
| O7—Mo1—O1 | 104.31 (12) | C18—C7—H7B | 110.1 |
| O8—Mo1—O3 | 97.79 (12) | H7A—C7—H7B | 108.4 |
| O7—Mo1—O3 | 96.60 (11) | N1—C8—C1 | 124.3 (3) |
| O1—Mo1—O3 | 147.72 (10) | N1—C8—H8 | 117.9 |
| O8—Mo1—N1 | 92.37 (12) | C1—C8—H8 | 117.9 |
| O7—Mo1—N1 | 159.23 (11) | N2—C9—O3 | 122.7 (3) |
| O1—Mo1—N1 | 81.09 (10) | N2—C9—C10 | 120.8 (3) |
| O3—Mo1—N1 | 71.19 (10) | O3—C9—C10 | 116.5 (3) |
| O8—Mo1—O6 | 169.67 (11) | C15—C10—C11 | 119.1 (3) |
| O7—Mo1—O6 | 83.73 (11) | C15—C10—C9 | 119.6 (3) |
| O1—Mo1—O6 | 80.25 (10) | C11—C10—C9 | 121.3 (3) |
| O3—Mo1—O6 | 77.86 (10) | C12—C11—C10 | 120.3 (3) |
| N1—Mo1—O6 | 77.38 (9) | C12—C11—H11 | 119.9 |
| C8—N1—N2 | 117.5 (3) | C10—C11—H11 | 119.9 |
| C8—N1—Mo1 | 125.9 (2) | O4—C12—C11 | 125.7 (3) |
| N2—N1—Mo1 | 116.2 (2) | O4—C12—C13 | 114.5 (3) |
| C9—N2—N1 | 108.9 (3) | C11—C12—C13 | 119.8 (3) |
| C2—O1—Mo1 | 132.1 (2) | O5—C13—C14 | 120.1 (3) |
| C3—O2—C7 | 117.9 (3) | O5—C13—C12 | 120.1 (3) |
| C9—O3—Mo1 | 121.0 (2) | C14—C13—C12 | 119.8 (3) |
| C12—O4—C16 | 117.4 (3) | C13—C14—C15 | 121.1 (4) |
| C13—O5—H5 | 109.5 | C13—C14—H14 | 119.4 |
| C17—O6—Mo1 | 122.1 (2) | C15—C14—H14 | 119.4 |
| C17—O6—H6 | 108 (3) | C14—C15—C10 | 119.9 (3) |
| Mo1—O6—H6 | 120 (3) | C14—C15—H15 | 120.1 |
| C2—C1—C6 | 119.4 (3) | C10—C15—H15 | 120.1 |
| C2—C1—C8 | 122.2 (3) | O4—C16—H16A | 109.5 |
| C6—C1—C8 | 118.3 (3) | O4—C16—H16B | 109.5 |
| O1—C2—C1 | 122.6 (3) | H16A—C16—H16B | 109.5 |
| O1—C2—C3 | 117.7 (3) | O4—C16—H16C | 109.5 |
| C1—C2—C3 | 119.7 (3) | H16A—C16—H16C | 109.5 |
| O2—C3—C4 | 125.7 (3) | H16B—C16—H16C | 109.5 |
| O2—C3—C2 | 115.0 (3) | O6—C17—H17A | 109.5 |
| C4—C3—C2 | 119.3 (4) | O6—C17—H17B | 109.5 |
| C3—C4—C5 | 120.7 (4) | H17A—C17—H17B | 109.5 |
| C3—C4—H4 | 119.6 | O6—C17—H17C | 109.5 |
| C5—C4—H4 | 119.6 | H17A—C17—H17C | 109.5 |
| C6—C5—C4 | 120.9 (4) | H17B—C17—H17C | 109.5 |
| C6—C5—H5A | 119.6 | C7—C18—H18A | 109.5 |
| C4—C5—H5A | 119.6 | C7—C18—H18B | 109.5 |
| C5—C6—C1 | 120.0 (4) | H18A—C18—H18B | 109.5 |
| C5—C6—H6A | 120.0 | C7—C18—H18C | 109.5 |
| C1—C6—H6A | 120.0 | H18A—C18—H18C | 109.5 |
| O2—C7—C18 | 108.1 (4) | H18B—C18—H18C | 109.5 |
| O2—C7—H7A | 110.1 |
[TableWrap ID: d1e2574]
| D—H···A | D—H | H···A | D···A | D—H···A |
| O6—H6···N2i | 0.85 (1) | 2.01 (1) | 2.853 (4) | 175 (5) |
| O5—H5···O4 | 0.82 | 2.20 | 2.646 (4) | 114 |
| O5—H5···O7ii | 0.82 | 2.12 | 2.828 (3) | 145 |
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