Information card for entry 4506863

Structure parameters

• Common name: (Co(en)3)2 BTC3 x 11.1 H2O
• Formula: C60 H152.4 Co4 N24 O46.2
• Calculated formula: C60 H108 Co4 N24 O46.194
• Title of publication: Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)
• Authors of publication: Liebig, Thomas J.; Ruschewitz, Uwe
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5402
• a: 16.5999 ± 0.0019 Å
• b: 16.003 ± 0.0011 Å
• c: 19.8084 ± 0.0012 Å
• α: 90°
• β: 97.954 ± 0.01°
• γ: 90°
• Cell volume: 5211.4 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.1695
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.2716
• Weighted residual factors for all reflections included in the refinement: 0.3033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No