Information card for entry 8102646

Structure parameters

• Chemical name: tetraaqua (4,4'-bipyridine)-mononickel—2,3-naphthalenedicarboxylic acid(1:1), {[Ni(C~10~H~8~N~2~)(H~2~O)~4~].C~12~H~6~O~4~}~n~
• Formula: C22 H22 N2 Ni O8
• Calculated formula: C22 H22 N2 Ni O8
• Title of publication: Crystal structure of tetraaqua-(4,4'-bipyridine-k2N,N')nickel(II) 2,3-naphthalenedicarboxylate, [Ni(H2O)4(C10H8N2)][C12H6O4]
• Authors of publication: Min Hu; Qiang Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 155
• a: 9.9148 ± 0.0009 Å
• b: 10.0079 ± 0.0009 Å
• c: 22.546 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2237.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No