Information card for entry 7701754

Structure parameters

• Formula: C100 H84 Cd4 Cl2 N14 O24
• Calculated formula: C100 H84 Cd4 Cl2 N14 O24
• Title of publication: Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.
• Authors of publication: Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8361 - 8374
• a: 10.9104 ± 0.0004 Å
• b: 15.8917 ± 0.001 Å
• c: 16.675 ± 0.001 Å
• α: 117.723 ± 0.006°
• β: 102.004 ± 0.004°
• γ: 96.874 ± 0.004°
• Cell volume: 2423.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No