Information card for entry 2219750

Structure parameters

• Chemical name: Tetrakis[tris(2,2'-bi-1<i>H</i>-benzimidazole)nickel(II)] bis(phosphate) sulfate
• Formula: C168 H120 N48 Ni4 O12 P2 S
• Calculated formula: C168 H120 N48 Ni4 O12 P2.01 S0.99
• Title of publication: Tetrakis[tris(2,2'-bi-1<i>H</i>-benzimidazole)nickel(II)] bis(phosphate) sulfate
• Authors of publication: Ling, Chun-Sheng; Yan, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1399
• a: 24.964 ± 0.007 Å
• b: 24.964 ± 0.007 Å
• c: 24.964 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15558 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes