Information card for entry 8105393

Structure parameters

• Formula: C76 H52 Cd2 N4 O18
• Calculated formula: C76 H52 Cd2 N4 O18
• Title of publication: Crystal structure of cyclo[diaqua-bis(μ2-3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κ4 O,O′:O′′,O′′′)-bis(4,4′-bis(pyrid-4-yl)biphenyl-K1 N)dicadmium(II)], C76H52Cd2N4O18
• Authors of publication: Li, Peng-Jiang; Chen, Shi-Jun; Yu, Zhi-Bin; Li, Shi-Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1113 - 1114
• a: 8.5834 ± 0.0004 Å
• b: 10.7034 ± 0.0005 Å
• c: 17.6105 ± 0.0008 Å
• α: 99.328 ± 0.004°
• β: 100.58 ± 0.004°
• γ: 95.281 ± 0.004°
• Cell volume: 1556.95 ± 0.13 ų
• Cell temperature: 292.3 ± 0.1 K
• Ambient diffraction temperature: 292.3 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No