Information card for entry 4321910

Structure parameters

• Formula: C33 H57 Cl Hf N6
• Calculated formula: C33 H57 Cl Hf N6
• SMILES: [Hf]123(Cl)([n]4n1c(cc4C(C)(C)C)C(C)(C)C)([n]1n2c(cc1C(C)(C)C)C(C)(C)C)[n]1n3c(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: 10.4529 ± 0.0007 Å
• b: 10.1437 ± 0.0006 Å
• c: 36.986 ± 0.003 Å
• α: 90°
• β: 93.308 ± 0.001°
• γ: 90°
• Cell volume: 3915.1 ± 0.5 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: 0.1534
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.0714
• Goodness-of-fit parameter for all reflections: 0.909
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No