Information card for entry 2003786

Structure parameters

• Formula: C25 H16 Cl Cu N5 S
• Calculated formula: C25 H16 Cl Cu N5 S
• Title of publication: <i>cis</i>-Chloro(isothiocyanato)bis(1,10-phenanthroline)copper(II), <i>cis</i>-[CuCl(NCS)(phen)~2~]
• Authors of publication: Parker, O. J.; Breneman, G. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1529 - 1531
• a: 10.828 ± 0.006 Å
• b: 16.339 ± 0.003 Å
• c: 15.034 ± 0.006 Å
• α: 90°
• β: 125.5 ± 0.02°
• γ: 90°
• Cell volume: 2165.4 ± 1.6 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No