Information card for entry 7206830

Structure parameters

• Formula: C25 H37.5 N4 O10.75 S Zn
• Calculated formula: C24 H20 N4 O10.25 S Zn
• 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: 13.9923 ± 0.0002 Å
• b: 14.3096 ± 0.0002 Å
• c: 32.6979 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6546.91 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No