Information card for entry 4349316

Structure parameters

• Formula: C35 H37 Co N2 O3 P2
• Calculated formula: C35 H37 Co N2 O3 P2
• SMILES: [Co]1(P2N(c3c(C)cc(C)cc3C)CCN2c2ccccc2[P]1(c1ccccc1)c1ccccc1)(C#[O])C#[O].O1CCCC1
• 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: 27.2428 ± 0.0013 Å
• b: 8.729 ± 0.0004 Å
• c: 13.3472 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3174 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No