Information card for entry 7009483

Structure parameters

• Formula: C19 H33 Br3 Cu2 N4 O
• Calculated formula: C19 H33 Br3 Cu2 N4 O
• SMILES: [Cu]123(Br)[Br][Cu]45(Br)[O]1c1c(cc(cc1C[N]2(CC[N]3(C)C)CC)C)C=[N]5CC[N]4(C)C
• Title of publication: Diversity in the reactions of unsymmetric dinucleating Schiff base ligands with CuII and NiII
• Authors of publication: Adams, Harry; Fenton, David E.; Haque, Shabana R.; Heath, Sarah L.; Ohba, Masaaki; Okawa, Hisashi; Spey, Sharon E.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1849
• a: 15.282 ± 0.003 Å
• b: 11.3423 ± 0.0019 Å
• c: 28.242 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4895.3 ± 1.5 ų
• Cell temperature: 423 ± 2 K
• Ambient diffraction temperature: 423 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No