Information card for entry 2200517

Structure parameters

• Formula: C17 H16 Cu N4 O4 S4
• Calculated formula: C17 H16 Cu N4 O4 S4
• Title of publication: Diisothiocyanato[di(2-pyridyl)methanediol]copper(II) bis(dimethyl sulfoxide), [Cu(NCS)~2~(dpydiol)]·2DMSO
• Authors of publication: Breneman, Gary L.; Aubol, Sheryl L.; Parker, O. Jerry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: m288 - m290
• a: 9.317 ± 0.004 Å
• b: 10.713 ± 0.005 Å
• c: 12.797 ± 0.006 Å
• α: 104.99 ± 0.02°
• β: 93.03 ± 0.03°
• γ: 103.46 ± 0.02°
• Cell volume: 1191.2 ± 1 ų
• Cell temperature: 295 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 significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No