Information card for entry 7027503

Structure parameters

• Formula: C36 H30 F6 Mo N6 O6 S2
• Calculated formula: C36 H30 F6 Mo N6 O6 S2
• 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: 18.8743 ± 0.0012 Å
• b: 10.7534 ± 0.0005 Å
• c: 19.5999 ± 0.0006 Å
• α: 90°
• β: 97.967 ± 0.004°
• γ: 90°
• Cell volume: 3939.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.1179
• Weighted residual factors for significantly intense reflections: 0.1128
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No