Information card for entry 2009569

Structure parameters

• Formula: C39 H28 Cu2 N9 O2 S
• Calculated formula: C39 H28 Cu2 N9 O2 S
• Title of publication: Bis(1,10-phenanthroline)copper(II)-μ-cyano-cyano(1,10-phenanthroline)copper(I) thiocyanate dihydrate
• Authors of publication: Potočňák, I.; Dunaj-Jurčo, M.; Kabešová, M.; Mikloš, D.; Kettmann, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 380 - 383
• a: 12.363 ± 0.015 Å
• b: 13.134 ± 0.014 Å
• c: 13.584 ± 0.012 Å
• α: 65.57 ± 0.07°
• β: 64.92 ± 0.08°
• γ: 65.18 ± 0.08°
• Cell volume: 1737 ± 4 ų
• Cell temperature: 293 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 significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 0.46
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No