Information card for entry 4111362

Structure parameters

• Formula: C28 H57 Co N2 P2 Si2
• Calculated formula: C28 H57 Co N2 P2 Si2
• SMILES: [Co]12[P](C[Si](N1[Si](C)(C)CP(C(C)(C)C)(C(C)(C)C)=[N]2c1ccccc1)(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: 11.6773 ± 0.0015 Å
• b: 17.266 ± 0.002 Å
• c: 17.258 ± 0.002 Å
• α: 90°
• β: 106.482 ± 0.004°
• γ: 90°
• Cell volume: 3336.6 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No