Information card for entry 1561381

Structure parameters

• Formula: C48 H38 Ca3 N5 O20 P3
• Calculated formula: C48 H38 Ca3 N5 O20 P3
• Title of publication: Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate
• Authors of publication: Ling, Yajing; Bai, Dongjie; Feng, Yunlong; He, Yabing
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 242
• Pages of publication: 47 - 54
• a: 12.1364 ± 0.0014 Å
• b: 15.2512 ± 0.0017 Å
• c: 15.5919 ± 0.0017 Å
• α: 89.746 ± 0.006°
• β: 80.369 ± 0.006°
• γ: 70.907 ± 0.006°
• Cell volume: 2684.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No