Information card for entry 7111895

Structure parameters

• Formula: C32 H72 Co2 N2 P4
• Calculated formula: C32 H72 Co2 N2 P4
• SMILES: C1C[P](C(C)C)(C(C)C)[Co]234[N]51CC[P](C(C)C)(C(C)C)[Co]145[N]2(CC[P]3(C(C)C)C(C)C)CC[P]1(C(C)C)C(C)C
• Title of publication: Unusual activation of H2 by reduced cobalt complexes supported by a PNP pincer ligand
• Authors of publication: Sergio S. Rozenel; Rosa Padilla; Clement Camp; John Arnold
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2612
• a: 9.7022 ± 0.0016 Å
• b: 12.226 ± 0.002 Å
• c: 17.863 ± 0.003 Å
• α: 108.791 ± 0.003°
• β: 95.504 ± 0.002°
• γ: 102.746 ± 0.002°
• Cell volume: 1924.3 ± 0.6 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No