Information card for entry 8102705

Structure parameters

• Chemical name: trans-tetraaqua-bis(nicotinamide) zinc(ii) 4,4'-biphenyldisulfonate
• Formula: C24 H28 N4 O12 S2 Zn
• Calculated formula: C24 H28 N4 O12 S2 Zn
• Title of publication: Crystal structure of trans-tetraaquabis(nicotinamide)zinc(II) 4,4'-biphenyldisulfonate, [Zn(H2O)4(C6H6N2O)2][C12H8S2O6]
• Authors of publication: Zhaoxun Lian; Ning Zhao; Ping Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 379
• a: 14.6271 ± 0.0003 Å
• b: 6.8558 ± 0.0001 Å
• c: 15.0743 ± 0.0003 Å
• α: 90°
• β: 111.185 ± 0.002°
• γ: 90°
• Cell volume: 1409.5 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No