Information card for entry 4334458

Structure parameters

• Formula: C104 H143 Cl2 Co12 N7 O58 P4
• Calculated formula: C102.5 H107 Cl2 Co12 N6 O63 P4
• Title of publication: Serendipitous Assemblies of Two Large Phosphonate Cages: A Co15 Distorted Molecular Cube and a Co12 Butterfly Type Core Structure
• Authors of publication: Javeed Ahmad Sheikh; Soumyabrata Goswami; Amit Adhikary; Sanjit Konar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4127 - 4129
• a: 16.7101 ± 0.0017 Å
• b: 32.185 ± 0.003 Å
• c: 29.64 ± 0.003 Å
• α: 90°
• β: 103.929 ± 0.006°
• γ: 90°
• Cell volume: 15472 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.1201
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No