Information card for entry 8102793

Structure parameters

• Formula: C26 H58 Ce N3 O21 P4
• Calculated formula: C26 H58 Ce N3 O21 P4
• SMILES: [Ce]12345([O]=P(OC(C)C)(OC(C)C)C=P(OC(C)C)(OC(C)C)O1)([O]=P(OC(C)C)(OC(C)C)C=P(OC(C)C)(OC(C)C)O2)(ON(=[O]3)=O)([O]=N(=O)O4)[O]=N(=O)O5
• Title of publication: Crystal structure of bis(O,O'-tetraisopropylmethylenediphosphonate)cerium(III) trinitrate, Ce(NO3)3[CH2P2O2(C3H7O)4]2
• Authors of publication: Rong Wang; Kai-Jun Mu; Shuang-Feng Deng; Qiong-Hua Jin; Cun-Lin Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 613
• a: 18.347 ± 0.006 Å
• b: 11.91 ± 0.004 Å
• c: 23.415 ± 0.007 Å
• α: 90°
• β: 104.327 ± 0.005°
• γ: 90°
• Cell volume: 4957 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 3.577
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No