Information card for entry 1561324

Structure parameters

• Formula: C18 H17 Br Cd N4 O4
• Calculated formula: C18 H17 Br Cd N4 O4
• Title of publication: Diverse CdII coordination complexes derived from bromide isophthalic acid binding with auxiliary N-donor ligands
• Authors of publication: Tang, Meng; Dong, Bao-Xia; Wu, Yi-Chen; Yang, Fang; Liu, Wen-Long; Teng, Yun-Lei
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 244
• Pages of publication: 12 - 19
• a: 13.8331 ± 0.0016 Å
• b: 13.9331 ± 0.0017 Å
• c: 20.789 ± 0.003 Å
• α: 90°
• β: 105.485 ± 0.001°
• γ: 90°
• Cell volume: 3861.4 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No