Information card for entry 7027505

Structure parameters

• Formula: C56 H62 Cl4 Mo2 N10
• Calculated formula: C56 H62 Cl4 Mo2 N10
• SMILES: c1c(N(N=[Mo]2(=NN(c3ccccc3)c3ccccc3)([NH2]C(C)(C)C)([Cl][Mo](=NN(c3ccccc3)c3ccccc3)(=NN(c3ccccc3)c3ccccc3)([NH2]C(C)(C)C)([Cl]2)Cl)Cl)c2ccccc2)cccc1
• 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: 10.6091 ± 0.0006 Å
• b: 18.777 ± 0.002 Å
• c: 14.6059 ± 0.0009 Å
• α: 90°
• β: 106.569 ± 0.005°
• γ: 90°
• Cell volume: 2788.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections: 0.5182
• Weighted residual factors for significantly intense reflections: 0.133
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No