Information card for entry 4072640

Structure parameters

• Formula: C63 H57 Co O15 P6
• Calculated formula: C63 H57 Co O15 P6
• SMILES: [Co](C#[O])(C#[O])(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)P(=O)(O)O.c1(ccccc1)P(=O)(O)O.c1(ccccc1)P(=O)(O)O.c1(ccccc1)P(=O)([O-])O
• Title of publication: Organometallic Supramolecular Mixed-Valence Cobalt(I)/Cobalt(II) Aquo Complexes Stabilized with the Water-Soluble Phosphine Ligandp-TPPTP (p-triphenylphosphine triphosphonic acid)
• Authors of publication: Schull, Terence L.; Henley, Leila; Deschamps, Jeffrey R.; Butcher, Ray J.; Maher, Dermot P.; Klug, Christopher A.; Swider-Lyons, Karen; Dressick, Walter J.; Bujoli, Bruno; Greenwood, Andrew E.; Congiardo, Laura K. Byington; Knight, D. Andrew
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2272
• a: 15.0893 ± 0.001 Å
• b: 15.3831 ± 0.0011 Å
• c: 16.5555 ± 0.0011 Å
• α: 95.985 ± 0.001°
• β: 110.825 ± 0.001°
• γ: 115.298 ± 0.001°
• Cell volume: 3094.5 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.067
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No