Information card for entry 7238827

Structure parameters

• Formula: C61 H63 F6 N12 Ni2 O12.5
• Calculated formula: C61 H63 F6 N12 Ni2 O12.5
• Title of publication: Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer
• Authors of publication: Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9798
• a: 24.1322 ± 0.0007 Å
• b: 8.2047 ± 0.0003 Å
• c: 15.471 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3063.22 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No