Information card for entry 2238589

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')nickel(II) propane-1,2-diol monosolvate
• Formula: C27 H24 N4 Ni O6 S
• Calculated formula: C27 H24 N4 Ni O6 S
• Title of publication: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')nickel(II) propane-1,2-diol monosolvate
• Authors of publication: Zhong, Kai-Long; Duan, Cheng-Xian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: m506 - m507
• a: 18.0277 ± 0.001 Å
• b: 13.0448 ± 0.0005 Å
• c: 12.807 ± 0.0005 Å
• α: 90°
• β: 121.738 ± 0.005°
• γ: 90°
• Cell volume: 2561.4 ± 0.2 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes