Information card for entry 4321911

Structure parameters

• Formula: C33 H57 Cl2 N6 Nb
• Calculated formula: C33 H57 Cl2 N6 Nb
• SMILES: [Nb]123(Cl)(Cl)(n4[n]1c(cc4C(C)(C)C)C(C)(C)C)(n1[n]2c(cc1C(C)(C)C)C(C)(C)C)n1[n]3c(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Structure, and Properties of Group 4 and 5 Metal Pyrazolato Chloride Complexes
• Authors of publication: Carlos Yélamos; Mary Jane Heeg; Charles H. Winter
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1871 - 1878
• a: 10.2051 ± 0.0003 Å
• b: 38.365 ± 0.0012 Å
• c: 9.7585 ± 0.0003 Å
• α: 90°
• β: 93.328 ± 0.001°
• γ: 90°
• Cell volume: 3814.2 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.1167
• Weighted residual factors for significantly intense reflections: 0.0985
• Goodness-of-fit parameter for all reflections: 1.006
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No