Information card for entry 4336332

Structure parameters

• Formula: C44 H65 B Cl Co N O P2
• Calculated formula: C44 H65 B Cl Co N O P2
• SMILES: C1C[P](C(C)C)(C(C)C)[Co]2([NH]1CC[P]2(C(C)C)C(C)C)Cl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCO1
• 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: 11.0786 ± 0.0018 Å
• b: 13.562 ± 0.002 Å
• c: 16.435 ± 0.003 Å
• α: 100.691 ± 0.002°
• β: 97.532 ± 0.002°
• γ: 100.824 ± 0.003°
• Cell volume: 2347.8 ± 0.7 ų
• Cell temperature: 139 ± 2 K
• Ambient diffraction temperature: 139 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No