Information card for entry 7051120

Structure parameters

• Formula: C12 H33 Br3 Cu2 N4 O3 Zn
• Calculated formula: C12 H33 Br3 Cu2 N4 O3 Zn
• SMILES: [Br]1[Cu]23([O]45[Zn](Br)([O]2CC[N]3(C)C)([O]2[Cu]14(Br)[N](CC2)(C)C)[N](CC5)(C)C)[NH3]
• Title of publication: Symmetric and asymmetric trinuclear cores in novel μ-alkoxo-bridged mixed-metal CuII2ZnII complexes: synthesis from zerovalent copper and zinc oxide, structure and magnetism
• Authors of publication: Elena A. Vinogradova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Philip J. Squattrito; Jan Reedijk; Gerard A. Van Albada; Wolfgang Linert; Satish K. Tiwary; Paul R. Raithby
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 949 - 953
• a: 15.214 ± 0.003 Å
• b: 10.478 ± 0.002 Å
• c: 16.526 ± 0.003 Å
• α: 90°
• β: 113.69 ± 0.03°
• γ: 90°
• Cell volume: 2412.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections: 0.1966
• Weighted residual factors for significantly intense reflections: 0.1665
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No