Information card for entry 7109828

Structure parameters

• Formula: C161 H142 Cl28 Cu3 N12 O54
• Calculated formula: C161 H141.98 Cl27.98 Cu3 N12 O54
• Title of publication: Reversible supra-channel effects: 3D kagome structure and catalysis via a molecular array of 1D coordination polymers
• Authors of publication: Haeri Lee; Tae Hwan Noh; Ok-Sang Jung
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9182
• a: 22.6009 ± 0.0004 Å
• b: 22.6009 ± 0.0004 Å
• c: 22.3136 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9870.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.2036
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2457
• Weighted residual factors for all reflections included in the refinement: 0.3174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No