Information card for entry 8104635

Structure parameters

• Formula: C24 H28 Cd N4 O12
• Calculated formula: C24 H28 Cd N4 O12
• Title of publication: Crystal structure of poly[diaqua-(μ 2-2,5-dihydroxyterephthalato-κ2 O:O′)(μ 2-bis(4-pyridylformyl)piperazine-κ2 N:N′)cadmium(II)] dihydrate, C24H28CdN4O12
• Authors of publication: Lv, Benlian; Ren, Yunli
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 961 - 963
• a: 11.8592 ± 0.0004 Å
• b: 8.3925 ± 0.0003 Å
• c: 13.9503 ± 0.0005 Å
• α: 90°
• β: 102.81 ± 0.003°
• γ: 90°
• Cell volume: 1353.89 ± 0.08 ų
• Cell temperature: 291.19 ± 0.1 K
• Ambient diffraction temperature: 291.19 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0309
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No