Information card for entry 4111361

Structure parameters

• Formula: C51 H93 Co N O2 P2 Si2
• Calculated formula: C51 H93 Co N O2 P2 Si2
• SMILES: [Co]12([P](C[Si](N2[Si](C)(C)C[P]1(C(C)(C)C)C(C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1C(C)(C)C)C=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Redox Chemistry of the Triplet Complex (PNP)CoI
• Authors of publication: Michael J. Ingleson; Maren Pink; Hongjun Fan; Kenneth G. Caulton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 4262 - 4276
• a: 20.64 ± 0.002 Å
• b: 10.7583 ± 0.0013 Å
• c: 26.665 ± 0.003 Å
• α: 90°
• β: 111.952 ± 0.003°
• γ: 90°
• Cell volume: 5491.7 ± 1.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No