Information card for entry 7054949

Structure parameters

• Formula: C10 H15 Ca N O9 P2
• Calculated formula: C10 H15 Ca N O9 P2
• Title of publication: Synthesis, structures, luminescent and molecular recognition properties of three new alkaline earth metal carboxyphosphonates with a 3D supramolecular structure
• Authors of publication: Luo, Hui; Ma, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Sun, Tong; Ma, Ming-Xue; Zhu, Yan-Yu; Li, Wen-Zhu; Wang, Mei-Ling; Zhang, Xiao-Wen
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 6611
• a: 6.9927 ± 0.0004 Å
• b: 8.0857 ± 0.0005 Å
• c: 14.201 ± 0.0009 Å
• α: 101.016 ± 0.001°
• β: 95.091 ± 0.001°
• γ: 101.324 ± 0.001°
• Cell volume: 766.12 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No