Information card for entry 7209967

Structure parameters

• Formula: C24 H22 Br2 Cu2 N8 O4
• Calculated formula: C24 H22 Br2 Cu2 N8 O4
• SMILES: c12ccc(cc2C=[N]2[C@@H](C[OH][Cu]23(N=C=NC#N)[O]1[Cu]12([N](=Cc4c([O]13)ccc(c4)Br)[C@H](C[OH]2)C)N=C=NC#N)C)Br
• Title of publication: Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking
• Authors of publication: Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 28
• Pages of publication: 5598
• a: 8.2239 ± 0.0016 Å
• b: 9.5128 ± 0.0019 Å
• c: 10.46 ± 0.002 Å
• α: 64.03 ± 0.03°
• β: 71.43 ± 0.03°
• γ: 83.95 ± 0.03°
• Cell volume: 696.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0843
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No