Information card for entry 8105110

Structure parameters

• Formula: C30 H18 Cd2 N2 O10 S2
• Calculated formula: C30 H18 Cd2 N2 O10 S2
• Title of publication: The crystal structure of catena-poly[diaqua-(μ4-5-(benzo[d]thiazol-2-yl)benzene-1,3-dicarboxylate-κ4 O,O′:O′′,O′′′)-(μ4-5-(benzo[d]thiazol-2-yl)benzene-1,3-dicarboxylate-κ4 O,O′:O′′,O′′′)dicadmium(II)], C30H18Cd2N2O10S2
• Authors of publication: Zheng, Min
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 367 - 369
• a: 14.9275 ± 0.0002 Å
• b: 10.18003 ± 0.00011 Å
• c: 18.3497 ± 0.0002 Å
• α: 90°
• β: 92.0808 ± 0.0013°
• γ: 90°
• Cell volume: 2786.63 ± 0.06 ų
• Cell temperature: 290.3 ± 0.9 K
• Ambient diffraction temperature: 290.3 ± 0.9 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No