Information card for entry 4308559

Structure parameters

• Formula: C40 H40 Co F12 N8 O12 P2
• Calculated formula: C40 H32 Co F12 N8 O12 P2
• SMILES: c1cc(ccn1=[O][Co]([O]=n1ccc(cc1)c1ccn(cc1)=O)([O]=n1ccc(cc1)c1ccn(cc1)=O)([O]=n1ccc(cc1)c1ccn(cc1)=O)([OH2])[OH2])c1ccn(cc1)=O.[P](F)(F)(F)(F)(F)[F-].O.[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Assembly of Hydrogen Bonded Diamondoid Networks Based on Synthetic Metal-Organic Tetrahedral Nodes
• Authors of publication: Bao-Qing Ma; Hao-Ling Sun; Song Gao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 837 - 839
• a: 23.169 ± 0.003 Å
• b: 23.169 ± 0.003 Å
• c: 8.2203 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4412.7 ± 1.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No