Information card for entry 4114147

Structure parameters

• Formula: C41 H68 B Co N P3
• Calculated formula: C41 H68 B Co N P3
• SMILES: [Co]12([P](C[B](c3ccccc3)(C[P]1(C(C)C)C(C)C)C[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)=Nc1ccc(cc1)C.c1ccccc1C
• Title of publication: Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms
• Authors of publication: Theodore A. Betley; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10782 - 10783
• a: 9.8016 ± 0.0009 Å
• b: 14.8639 ± 0.0013 Å
• c: 28.355 ± 0.003 Å
• α: 90°
• β: 99.692 ± 0.002°
• γ: 90°
• Cell volume: 4072.1 ± 0.7 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 6
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.62
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No