Information card for entry 2001444

Structure parameters

• Formula: C40 H27 Cu2 N9 O0.5 S0.9 Se1.1
• Calculated formula: C40 Cu2 N10 O0.5 Se2
• Title of publication: Structure of a mixed-valence copper complex with 1,10-phenanthroline and pseudohalogenide ligands
• Authors of publication: Dunaj-Jurčo, M.; Kabešová, M.; Kettmann, V.; Císařová, I.; Mikloš, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1476 - 1479
• a: 17.792 ± 0.018 Å
• b: 16.491 ± 0.018 Å
• c: 24.28 ± 0.04 Å
• α: 90°
• β: 94.01 ± 0.1°
• γ: 90°
• Cell volume: 7107 ± 16 ų
• Cell temperature: 293 K
• Number of distinct elements: 7
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 2.16
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No