Information card for entry 7208317

Structure parameters

• Formula: C42 H38 F2 N4 Ni2 O10
• Calculated formula: C42 H38 F2 N4 Ni2 O10
• Title of publication: Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties
• Authors of publication: Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 5322
• a: 11.6305 ± 0.0017 Å
• b: 14.158 ± 0.002 Å
• c: 12.0363 ± 0.0017 Å
• α: 90°
• β: 94.73 ± 0.003°
• γ: 90°
• Cell volume: 1975.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No