Information card for entry 2236020

Structure parameters

• Chemical name: Poly[aqua(μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>')[μ-5- (diphenylphosphinoyl)isophthalato- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]nickel(II)]
• Formula: C32 H25 N2 Ni O6 P
• Calculated formula: C32 H25 N2 Ni O6 P
• Title of publication: Poly[aqua[μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'][μ-5-(diphenylphosphinoyl)isophthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]nickel(II)]
• Authors of publication: Zhang, Peng; Liu, Yu-Jie; Li, Kai-Hui; Yang, Guang-Rui; Mei, Chong-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1058 - m1059
• a: 10.1866 ± 0.0003 Å
• b: 13.698 ± 0.0003 Å
• c: 21.703 ± 0.0006 Å
• α: 90°
• β: 111.174 ± 0.002°
• γ: 90°
• Cell volume: 2823.9 ± 0.14 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: 0.0818
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes