Information card for entry 4312544

Structure parameters

• Formula: C39 H72 N6 O3 P S3 Si3 V
• Calculated formula: C39 H72 N6 O3 P S3 Si3 V
• SMILES: [V]123([NH2]N)([NH2]N)([NH2]N)[P](c4cccc([Si](C)(C)C)c4[S]1)(c1cccc([Si](C)(C)C)c1S2)c1cccc([Si](C)(C)C)c1S3.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: The First Example of a Seven-Coordinate Vanadium(III) Thiolate Complex Containing the Hydrazine Molecule, an Intermediate of Nitrogen Fixation
• Authors of publication: Hua-Fen Hsu; Wei-Cheng Chu; Chen-Hsiung Hung; Ju-Hsiou Liao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7369 - 7371
• a: 11.2441 ± 0.001 Å
• b: 11.2607 ± 0.001 Å
• c: 19.5312 ± 0.0017 Å
• α: 86.032 ± 0.002°
• β: 88.291 ± 0.002°
• γ: 75.138 ± 0.002°
• Cell volume: 2384.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1214
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No