Information card for entry 8102741

Structure parameters

• Chemical name: Tetraaqua-bis(pyridine-4-carboxamide-N) zinc(ii) 1,5-Naphthalenedisulfonate tetrahydrate isonicotinamide clathrate
• Formula: C34 H46 N8 O18 S2 Zn
• Calculated formula: C34 H46 N8 O18 S2 Zn
• Title of publication: Crystal structure of tetraaquabis(pyridine-4-carboxamide-N)zinc(II) 1,5-naphthalenedisulfonate — isonicotinamide — water (1:2:4), [Zn(H2O)4(C6H6N2O)2][C10H6S2O6] · 2C6H6N2O · 4H2O
• Authors of publication: Zhao, Ning; Lian, Zhaoxun; Liu, Ping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 461 - 462
• a: 10.366 ± 0.006 Å
• b: 10.92 ± 0.006 Å
• c: 10.941 ± 0.005 Å
• α: 70.83 ± 0.05°
• β: 74.81 ± 0.05°
• γ: 78.29 ± 0.05°
• Cell volume: 1119.6 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No