Information card for entry 7003722

Structure parameters

• Formula: C21 H31 I N3 O P2 S V
• Calculated formula: C21 H31 I N3 O P2 S V
• SMILES: [V]123(Sc4ccccc4[N]3=Cc3ccccc3O2)([P](CC[P]1(C)C)(C)C)=NN(C)C.[I-]
• Title of publication: Vanadium(V) hydrazido(2−) thiolate imine alkoxide complexes
• Authors of publication: Banerjee, Sanjukta; Odom, Aaron L.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 2005 - 2008
• a: 10.8685 ± 0.0002 Å
• b: 18.3385 ± 0.0003 Å
• c: 26.2108 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5224.13 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No