Information card for entry 7206833

Structure parameters

• Formula: C76 H154 Br6 N16 O21 Zn3
• Calculated formula: C64 H80 Br6 N16 O8 Zn3
• Title of publication: Zinc(ii) coordination polymers with pseudopeptidic ligands
• Authors of publication: Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6997
• a: 39.03 ± 0.002 Å
• b: 11.8817 ± 0.0002 Å
• c: 27.633 ± 0.0013 Å
• α: 90°
• β: 123.78 ± 0.007°
• γ: 90°
• Cell volume: 10651.2 ± 1.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No