Information card for entry 8102790

Structure parameters

• Chemical name: tris(1,10-phenanthroline)-nickel(ii) bis o-aminobenzenesulfonate ethanol solvate
• Formula: C50 H42 N8 Ni O7 S2
• Calculated formula: C50 H42 N8 Ni O7 S2
• Title of publication: Crystal structure of tris(1,10-phenanthroline)nickel(II) bis(o-aminobenzenesulfonate) — ethanol (1:1), [Ni(C12H8N2)3][C6H6NO3S]2 · C2H5OH, at 120 K
• Authors of publication: Bernard Tinant; François Robert; Yann Garcia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 546
• a: 11.709 ± 0.002 Å
• b: 13.2 ± 0.005 Å
• c: 15.544 ± 0.003 Å
• α: 71.7°
• β: 74.52°
• γ: 71.69°
• Cell volume: 2127.4 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No