Information card for entry 7030163

Structure parameters

• Formula: C22 H38 Cl2 Cu3 N10 O12
• Calculated formula: C22 H38 Cl2 Cu3 N10 O12
• Title of publication: Cis-trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized water to stabilize the cis isomer, variation in magnetic properties and conversion of both into a trinuclear species.
• Authors of publication: Biswas, Apurba; Drew, Michael G. B.; Diaz, Carmen; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 12200 - 12212
• a: 8.676 ± 0.003 Å
• b: 15.09 ± 0.004 Å
• c: 13.092 ± 0.004 Å
• α: 90°
• β: 99.24 ± 0.03°
• γ: 90°
• Cell volume: 1691.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.1591
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No