Information card for entry 4349317

Structure parameters

• Formula: C35 H47 Co N2 P4
• Calculated formula: C35 H47 Co N2 P4
• SMILES: [Co]1(P2N(c3c(C)cc(C)cc3C)CCN2c2ccccc2[P]1(c1ccccc1)c1ccccc1)([P](C)(C)C)[P](C)(C)C
• Title of publication: Cobalt N-Heterocyclic Phosphenium Complexes Stabilized by a Chelating Framework: Synthesis and Redox Properties.
• Authors of publication: Bezpalko, Mark W.; Poitras, Andrew M.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 503 - 510
• a: 9.1093 ± 0.0006 Å
• b: 37.469 ± 0.002 Å
• c: 10.6957 ± 0.0007 Å
• α: 90°
• β: 107.623 ± 0.0011°
• γ: 90°
• Cell volume: 3479.3 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No