Information card for entry 7209533

Structure parameters

• Formula: C78 H76 Cl Cu5 N20 O38.5 V16
• Calculated formula: C78 H66 Cl Cu5 N20 O38.5 V16
• Title of publication: Spontaneous resolution of 3D chiral hexadecavanadate-based frameworks incorporating achiral flexible and rigid ligands
• Authors of publication: Teng, Yun-lei; Dong, Bao-xia; Peng, Jun; Zhang, Shi-yang; Chen, Lu; Song, Liang; Ge, Jun
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 2783
• a: 27.6 ± 0.004 Å
• b: 27.6 ± 0.004 Å
• c: 26.7 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20339 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No