Information card for entry 7012507

Structure parameters

• Formula: C15 H33 Br3 Cu2 N6 O3
• Calculated formula: C15 H33 Br3 Cu2 N6 O3
• Title of publication: Asymmetry in endogenously bridged binuclear copper(ii) and zinc(ii) complexes formed by 1,2-bis[1,4,7-triazacyclonon-1-yl]propan-2-olElectronic supplementary information (ESI) available: Table S1 presenting selected ligand skeletal torsion angles. See http://www.rsc.org/suppdata/dt/b2/b211490a/
• Authors of publication: Fry, Fiona H.; Moubaraki, Boujemaa; Murray, Keith S.; Spiccia, Leone; Warren, Mark; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 866
• a: 7.438 ± 0.001 Å
• b: 13.326 ± 0.002 Å
• c: 13.812 ± 0.003 Å
• α: 64.635 ± 0.002°
• β: 78.858 ± 0.003°
• γ: 89.469 ± 0.003°
• Cell volume: 1209.6 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 all reflections: 0.082
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections: 1.594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No