Information card for entry 8105028

Structure parameters

• Formula: C56 H46 N4 O22 P2 Zn2
• Calculated formula: C56 H46 N4 O22 P2 Zn2
• Title of publication: The crystal structure of diaqua-bis(μ2-3-((3-acetyl-5-carboxyphenyl)oxidophosphoryl)-5-carboxybenzoato-κ2O:O′)bis(5,5′-dimethyl-2,2′-bipyridine-k2N,N′)zinc(II), C56H46N4O22P2Zn2
• Authors of publication: Li, Yesheng; Chen, Huating; Chen, Han; Hu, Xingen; Xiao, Hongping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 95 - 97
• a: 9.6537 ± 0.0004 Å
• b: 31.1374 ± 0.0011 Å
• c: 9.8927 ± 0.0004 Å
• α: 90°
• β: 112.709 ± 0.002°
• γ: 90°
• Cell volume: 2743.13 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No