Information card for entry 7703857

Structure parameters

• Formula: C67 H87 Co N4 P
• Calculated formula: C67 H87 Co N4 P
• SMILES: c12[Co](c3c(cccc3/C=N/c3c(cccc3C(C)C)C(C)C)/C=N/c3c(cccc3C(C)C)C(C)C)([N](=Cc1cccc2/C=N/c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[P](C)(C)C
• Title of publication: Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.
• Authors of publication: Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5219 - 5227
• a: 11.4966 ± 0.0012 Å
• b: 13.3441 ± 0.0013 Å
• c: 22.168 ± 0.002 Å
• α: 76.217 ± 0.002°
• β: 82.452 ± 0.002°
• γ: 76.299 ± 0.002°
• Cell volume: 3198.8 ± 0.5 ų
• Cell temperature: 184 ± 2 K
• Ambient diffraction temperature: 184.65 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: 0.177
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No