Information card for entry 7209965

Structure parameters

• Formula: C13 H14 Cu N4 O3
• Calculated formula: C13 H14 Cu N4 O3
• 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: 9.589 ± 0.0019 Å
• b: 10.709 ± 0.002 Å
• c: 13.528 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1389.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No