Information card for entry 7004584

Structure parameters

• Formula: C24 H24 Cl2 Cu2 N6
• Calculated formula: C24 H24 Cl2 Cu2 N6
• SMILES: C1c2cccn2[Cu]23([N]=1CCc1[n]2cccc1)[Cl][Cu]12(n4c(C=[N]1CCc1[n]2cccc1)ccc4)[Cl]3
• Title of publication: Monomeric, dimeric and 1D chain polymeric copper(ii) complexes of a pyrrole-containing tridentate Schiff-base ligand and its 4-brominated analogue
• Authors of publication: Li, Rongqing; Moubaraki, Boujemaa; Murray, Keith S.; Brooker, Sally
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 6014 - 6022
• a: 8.653 ± 0.003 Å
• b: 8.353 ± 0.003 Å
• c: 16.116 ± 0.005 Å
• α: 90°
• β: 90.422 ± 0.004°
• γ: 90°
• Cell volume: 1164.8 ± 0.7 ų
• Cell temperature: 169 ± 2 K
• Ambient diffraction temperature: 169 ± 2 K
• Number of distinct elements: 5
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.446
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No