Information card for entry 7205219

Structure parameters

• Formula: C20 H31 N8 O11 V3 Zn2
• Calculated formula: C20 H31 N8 O11 V3 Zn2
• Title of publication: pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group
• Authors of publication: Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 779
• a: 8.356 ± 0.0006 Å
• b: 9.822 ± 0.0007 Å
• c: 9.904 ± 0.0007 Å
• α: 68.292 ± 0.001°
• β: 85.2 ± 0.001°
• γ: 82.759 ± 0.001°
• Cell volume: 748.57 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No