Information card for entry 8105704

Structure parameters

• Formula: C38 H36 Cd2 N14 O10
• Calculated formula: C38 H36 Cd2 N14 O10
• Title of publication: The crystal structure of poly[(μ2-terephthalato-κ4 O,O′: O″,O‴)-(μ4-terephthalato-κ4 O:O′:O″:O‴)-{μ4-(1,2,4,5-tetrakis(1,2,4-triazol-1-ylmethyl)-benzene-κ4 O:O′:O″,O‴)}dicadmium(II)] – water – acetronitrile (1/2/2), C38H36N14O10Cd2
• Authors of publication: Wang, Hua-Rui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 389 - 391
• a: 10.22 ± 0.002 Å
• b: 10.685 ± 0.002 Å
• c: 10.777 ± 0.002 Å
• α: 84.18 ± 0.03°
• β: 72.02 ± 0.03°
• γ: 75.28 ± 0.03°
• Cell volume: 1082.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0289
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No