Information card for entry 1100152

Structure parameters

• Chemical name: bis(2,2'-biimidazole)copper(II) perchlorate bis(4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one
• Formula: C22 H20 Cl2 Cu N16 O10
• Calculated formula: C22 H20 Cl2 Cu N16 O10
• Title of publication: Structure of the adduct of bis(2,2'biimidazole)copper(II) perchlorate with 4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one
• Authors of publication: Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas
• Journal of publication: Journal of Chemical Crystallography
• Year of publication: 2004
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 549 - 552
• a: 19.666 ± 0.002 Å
• b: 11.7586 ± 0.0008 Å
• c: 13.4808 ± 0.0009 Å
• α: 90°
• β: 103.69 ± 0.008°
• γ: 90°
• Cell volume: 3028.8 ± 0.5 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.2456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No