Information card for entry 1559039

Structure parameters

• Common name: [CuL2(NCS)1.5(ClO4)0.5][CuL2(NCS)]2(ClO4)2 (L = Di-2-pyridylamine)
• Formula: C63.5 H54 Cl2.5 Cu3 N21.5 O10 S3.5
• Calculated formula: C63.5 Cl2.5 Cu3 N21.5 O10 S3.5
• Title of publication: Coordination Geometries in Bis(di-2-pyridylamine)copper(II) Complexes. Crystal Structures of [CuL2](PF6)2, [CuL2(NO3)2] and [CuL2(NCS)1.5(ClO4)0.5][CuL2(NCS)]2(ClO4)2 (L = Di-2-pyridylamine)
• Authors of publication: Sletten, Jorunn; Svardal, Kristin; Sorensen, Astrid
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 1091 - 1099
• a: 12.758 ± 0.001 Å
• b: 14.459 ± 0.002 Å
• c: 19.397 ± 0.003 Å
• α: 90°
• β: 93.81 ± 0.01°
• γ: 90°
• Cell volume: 3570.2 ± 0.8 ų
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 7
• 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: 0.06
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 3.23
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No