Information card for entry 2003683

Structure parameters

• Formula: C28 H16 Cu N8 O S
• Calculated formula: C28 H16 Cu N8 O S
• SMILES: [Cu]12([n]3c4c(ccc3)ccc3c4[n]1ccc3)([n]1c3c(ccc1)ccc1c3[n]2ccc1)N=C=S.[O-]N=C(C#N)C#N
• Title of publication: Isothiocyanatobis(1,10-phenanthroline)copper(II) Dicyanonitrosomethanide
• Authors of publication: Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Kabešová, M.; Jäger, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1291 - 1293
• a: 7.937 ± 0.004 Å
• b: 11.249 ± 0.006 Å
• c: 15.144 ± 0.006 Å
• α: 99.59 ± 0.04°
• β: 98 ± 0.04°
• γ: 110.59 ± 0.04°
• Cell volume: 1219.1 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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 all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.1318
• Weighted residual factors for significantly intense reflections: 0.1112
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No