Information card for entry 1560518

Structure parameters

• Formula: C54 H40 N2 O13 Zn2
• Calculated formula: C54 H40 N2 O13 Zn2
• Title of publication: A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing
• Authors of publication: Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 249
• Pages of publication: 87 - 97
• a: 16.678 ± 0.002 Å
• b: 16.269 ± 0.002 Å
• c: 18.344 ± 0.002 Å
• α: 90°
• β: 106.847 ± 0.002°
• γ: 90°
• Cell volume: 4763.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1123
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No