Information card for entry 4316114

Structure parameters

• Formula: C48 H64 Co2 N8 O23 P2
• Calculated formula: C48 H64 Co2 N8 O23 P2
• SMILES: [Co]123(OP4(=O)O[Co]56(OP(=O)(O1)O4)([n]1cccc4ccc7ccc[n]6c7c14)[n]1cccc4ccc6ccc[n]5c6c14)([n]1cccc4ccc5ccc[n]3c5c14)[n]1cccc3ccc4ccc[n]2c4c13.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Expanding Monomeric Pyrophosphate Complexes beyond Platinum
• Authors of publication: Nadia Marino; Anthony R. Vortherms; Amanda E. Hoffman; Robert P. Doyle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6790 - 6792
• a: 12.852 ± 0.003 Å
• b: 21.431 ± 0.004 Å
• c: 21.406 ± 0.004 Å
• α: 90°
• β: 106.294 ± 0.004°
• γ: 90°
• Cell volume: 5659 ± 2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No