Information card for entry 2006935

Structure parameters

• Chemical name: Aquadicyanonitrosomethanidobis(1,10-phenanthroline)copper(II) Dicyanonitrosomethanide
• Formula: C30 H18 Cu N10 O3
• Calculated formula: C30 H18 Cu N10 O3
• SMILES: [Cu]12([n]3c4c(ccc3)ccc3c4[n]1ccc3)([n]1c3c(ccc1)ccc1c3[n]2ccc1)([OH2])ON=C(C#N)C#N.[O-]N=C(C#N)C#N
• Title of publication: Aqua(dicyanonitrosomethanido-<i>O</i>)bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Dicyanonitrosomethanide
• Authors of publication: Mikloš, Dušan; Potočňák, Ivan; Dunaj-Jurčo, Michal; Jäger, Lothar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 33 - 36
• a: 9.291 ± 0.005 Å
• b: 11.773 ± 0.005 Å
• c: 13.079 ± 0.009 Å
• α: 108.1 ± 0.05°
• β: 92.96 ± 0.05°
• γ: 96.01 ± 0.04°
• Cell volume: 1347 ± 1.4 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: 0.148
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.084
• Goodness-of-fit parameter for all reflections: 0.784
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No