Information card for entry 7222049

Structure parameters

• Formula: C14 H28 Cd3 Cl2 N2 O12 P2
• Calculated formula: C14 H28 Cd3 Cl2 N2 O12 P2
• Title of publication: Two novel cadmium(II) carboxyphosphonates with 3D framework structure: syntheses, crystal structures, luminescence and molecular recognition properties
• Authors of publication: Ma, Chao; Jiao, Cheng‒Qi; Sun, Zhen-Gang; Zhu, Yanyu; Zhang, Xiao-Wen; Wang, Mei-Ling; Yang, Dan; Zhao, Zhou; Li, Huan-Yu; Xing, Bo
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.6729 ± 0.0006 Å
• b: 8.939 ± 0.0004 Å
• c: 12.9834 ± 0.0007 Å
• α: 90°
• β: 110.266 ± 0.001°
• γ: 90°
• Cell volume: 1270.87 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.019
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No