Information card for entry 2001445

Structure parameters

• Formula: C39 H34 Cu2 N9 O5
• Calculated formula: C39 H34 Cu2 N9 O5
• Title of publication: Mixed-valence Cu^I^–Cu^II^ complexes. Structure of cyanobis(1,10-phenanthroline)copper(II) bis(cyano)(1,10-phenanthroline)cuprate(I) pentahydrate
• Authors of publication: Dunaj-Jurčo, M.; Potočňák, I.; Cíbik, J.; Kabešová, M.; Kettmann, V.; Mikloš, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1479 - 1482
• a: 11.483 ± 0.015 Å
• b: 12.066 ± 0.015 Å
• c: 15.586 ± 0.008 Å
• α: 107.32 ± 0.1°
• β: 107.11 ± 0.09°
• γ: 106.79 ± 0.09°
• Cell volume: 1795 ± 4 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 1.61
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No