Information card for entry 4336337

Structure parameters

• Formula: C32 H72 Co2 N2 P4
• Calculated formula: C32 H72 Co2 N2 P4
• SMILES: C12C[P](C(C)C)(C(C)C)[CoH]345[N]6(CC[P]4(C(C)C)C(C)C)CC[P](C(C)C)(C(C)C)[Co]4256[N]13CC[P]4(C(C)C)C(C)C
• Title of publication: Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand
• Authors of publication: Sergio S. Rozenel; Rosa Padilla; John Arnold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11544 - 11550
• a: 36.173 ± 0.007 Å
• b: 10.119 ± 0.005 Å
• c: 21.802 ± 0.005 Å
• α: 90°
• β: 104.628 ± 0.009°
• γ: 90°
• Cell volume: 7722 ± 4 ų
• Cell temperature: 165 ± 2 K
• Ambient diffraction temperature: 165 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No