Information card for entry 2010000

Structure parameters

• Formula: C25 H16 Cl Cu N5 O4 S
• Calculated formula: C25 H16 Cl Cu N5 O4 S
• Title of publication: Isothiocyanatobis(1,10-phenanthroline)copper(II) perchlorate, [Cu(NCS)(phen)~2~]ClO~4~
• Authors of publication: Parker, O. Jerry; Manson, Jamie L.; Breneman, Gary L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1201 - 1203
• a: 14.737 ± 0.002 Å
• b: 15.2 ± 0.001 Å
• c: 20.762 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4650.7 ± 1 ų
• Cell temperature: 293 K
• Number of distinct elements: 7
• Hermann-Mauguin space group symbol: P b c a
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No