Information card for entry 7045847

Structure parameters

• Formula: C79.05 H81.45 Cd3 N10.35 O24.7
• Calculated formula: C79.05 H80.45 Cd3 N10.35 O24.7
• Title of publication: Coordination chemistry of flexible benzene-1,3,5-tricarboxamide derived carboxylates; notable structural resilience and vaguely familiar packing motifs.
• Authors of publication: Lynes, Amy D.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 15
• Pages of publication: 5259 - 5268
• a: 9.3062 ± 0.0003 Å
• b: 20.1158 ± 0.0006 Å
• c: 22.2589 ± 0.0007 Å
• α: 101.912 ± 0.001°
• β: 101.214 ± 0.001°
• γ: 98.742 ± 0.001°
• Cell volume: 3918.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0884
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No