Information card for entry 7027504

Structure parameters

• Formula: C47.5 H40 Cl4 F3 Mo N3 O5 S
• Calculated formula: C47.5 H40 Cl4 F3 Mo N3 O5 S
• Title of publication: Bis(isodiazene) and related complexes of molybdenum(VI). Syntheses and structures of [Mo(OTf )2(NNPh2)2(py)2], [MoCl(OTf )(NNPh2){NC5H3(CH2C(O)Ph2)2-2,6}], [{MoCl(NNPh2)2(μ-Cl)(NH2But)}2] and [MoTp′Cl(NNPh2)2] [OTf = O3SCF3, Tp′ = tris(3,5-dimethylpyrazolyl)hydroborate]
• Authors of publication: Dilworth, Jonathan R.; Gibson, Vernon C.; Davies, Nicola; Redshaw, Carl; White, Andrew P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2695
• a: 12.9 ± 0.002 Å
• b: 14.588 ± 0.003 Å
• c: 14.795 ± 0.003 Å
• α: 119.41 ± 0.02°
• β: 91.321 ± 0.014°
• γ: 95.5 ± 0.02°
• Cell volume: 2406.3 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections: 0.1705
• Weighted residual factors for significantly intense reflections: 0.1494
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No