Information card for entry 4312773

Structure parameters

• Formula: C60 H45 Co1.5 N12 S3
• Calculated formula: C60 H45 Co1.5 N12 S3
• Title of publication: Self-Assemblies of New Rigid Angular Ligands and Metal Centers toward the Rational Construction and Modification of Novel Coordination Polymer Networks
• Authors of publication: Dong Mok Shin; In Su Lee; Young Keun Chung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8838 - 8846
• a: 20.702 ± 0.003 Å
• b: 31.164 ± 0.004 Å
• c: 15.5365 ± 0.0014 Å
• α: 90°
• β: 125.538 ± 0.006°
• γ: 90°
• Cell volume: 8156.4 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.2529
• Residual factor for significantly intense reflections: 0.1303
• Weighted residual factors for significantly intense reflections: 0.3456
• Weighted residual factors for all reflections included in the refinement: 0.4182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No