Information card for entry 1561323

Structure parameters

• Formula: C22 H19 Br Cd N4 O5
• Calculated formula: C22 H19 Br Cd N4 O5
• 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: 7.4381 ± 0.0009 Å
• b: 14.6814 ± 0.0018 Å
• c: 21.426 ± 0.003 Å
• α: 90°
• β: 107.26 ± 0.004°
• γ: 90°
• Cell volume: 2234.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0809
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No