Information card for entry 4333548

Structure parameters

• Formula: C34 H58 Cl2 Co2 N2 O P2
• Calculated formula: C34 H58 Cl2 Co2 N2 O P2
• SMILES: [Co]123([Co]([Cl]1)(N(c1c(cc(cc1C)C)C)[P]2(C(C)C)C(C)C)(N(c1c(cc(cc1C)C)C)[P]3(C(C)C)C(C)C)[O]1CCCC1)Cl
• Title of publication: Metal-Metal Bonding in Low-Coordinate Dicobalt Complexes Supported by Phosphinoamide Ligands
• Authors of publication: Ramyaa Mathialagan; Subramaniam Kuppuswamy; Alexandra T. De Denko; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 701 - 706
• a: 8.4435 ± 0.0007 Å
• b: 19.6022 ± 0.0015 Å
• c: 22.671 ± 0.0018 Å
• α: 90°
• β: 90.807 ± 0.005°
• γ: 90°
• Cell volume: 3751.9 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• 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: 0.0583
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No