Information card for entry 4325113

Structure parameters

• Formula: C45 H75 Cl Co Hf I N3 P3
• Calculated formula: C45 H75 Cl Co Hf I N3 P3
• SMILES: C(C)(C)[P]1(C(C)C)[Co]23(I)[Hf](Cl)(N1c1c(cc(cc1C)C)C)(N(c1c(cc(cc1C)C)C)[P]3(C(C)C)C(C)C)N(c1c(cc(cc1C)C)C)[P]2(C(C)C)C(C)C
• Title of publication: Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt
• Authors of publication: Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4647 - 4655
• a: 12.0541 ± 0.0003 Å
• b: 12.0541 ± 0.0003 Å
• c: 19.7252 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2482.11 ± 0.12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for all reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No