Information card for entry 2004397

Structure parameters

• Chemical name: Bis(1,10-phenanthroline)cyanocopper(II) Tricyanomethanide Dihydrate.
• Formula: C29 H20 Cu N8 O2
• Calculated formula: C29 H20 Cu N8 O2
• SMILES: [Cu]12([n]3c4c(ccc3)ccc3c4[n]1ccc3)([n]1c3c(ccc1)ccc1c3[n]2ccc1)C#N.C(=[N-])=C(C#N)C#N.O.O
• Title of publication: Cyanobis(1,10-phenanthroline)copper(II) Tricyanomethanide Dihydrate
• Authors of publication: Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 48 - 50
• a: 10.262 ± 0.003 Å
• b: 10.595 ± 0.003 Å
• c: 11.95 ± 0.004 Å
• α: 88.36 ± 0.02°
• β: 84.28 ± 0.02°
• γ: 83.07 ± 0.02°
• Cell volume: 1283.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections: 0.1196
• Weighted residual factors for significantly intense reflections: 0.1084
• Goodness-of-fit parameter for all reflections: 0.913
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No