Information card for entry 8102791

Structure parameters

• Chemical name: chloro-bis(1,10-phenanthroline)copper(II) o-aminobenzene sulfonate methanol solvate
• Formula: C63 H56 Cl2 Cu2 N10 O9 S2
• Calculated formula: C63 H41 Cl2 Cu2 N10 O9 S2
• Title of publication: Crystal structure of chloro-bis(1,10-phenanthroline)copper(II) o-aminobenzenesulfonate — methanol (2:3), [Cu(C12H8N2)2Cl]2[C6H3NO3S]2 · 3CH3OH, 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: 549
• a: 10.001 ± 0.003 Å
• b: 24.613 ± 0.005 Å
• c: 23.794 ± 0.005 Å
• α: 90°
• β: 94.8 ± 0.03°
• γ: 90°
• Cell volume: 5836 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No