Information card for entry 7119274

Structure parameters

• Formula: C18 H36 Cu4 N10 O12
• Calculated formula: C18 H30 Cu4 N9 O6
• Title of publication: Control of bulk homochirality and proton conductivity in isostructural chiral metal-organic frameworks.
• Authors of publication: Song, Bai-Qiao; Chen, Da-Qin; Ji, Zhenguo; Tang, Junhong; Wang, Xin-Long; Zang, Hong-Ying; Su, Zhong-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1892 - 1895
• a: 19.613 ± 0.003 Å
• b: 19.613 ± 0.003 Å
• c: 13.849 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4613.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No