Information card for entry 2232223

Structure parameters

• Chemical name: poly[tetrakis[(4-chlorophenyl)methanaminium] [cadmate-μ-cyclohexaphosphorato]]
• Formula: C28 H36 Cd Cl4 N4 O18 P6
• Calculated formula: C28 H36 Cd Cl4 N4 O18 P6
• SMILES: [Cd]1234(OP5(=O)OP(=O)(O1)OP(=O)(O2)OP1(=O)O[Cd]2OP(=O)(O1)OP(=O)(O5)O2)OP1(=O)OP(=O)(O3)OP(=O)(O4)OP(=O)([O-])OP(=O)([O-])OP(=O)(O1)[O-].Clc1ccc(cc1)C[NH3+].Clc1ccc(cc1)C[NH3+].Clc1ccc(cc1)C[NH3+].Clc1ccc(cc1)C[NH3+].Clc1ccc(cc1)C[NH3+].Clc1ccc(cc1)C[NH3+].Clc1ccc(cc1)C[NH3+].Clc1ccc(cc1)C[NH3+]
• Title of publication: The one-dimensional coordination polymer poly[tetrakis[(4-chlorophenyl)methanaminium] [cadmate-μ-cyclohexaphosphorato]]
• Authors of publication: Abid, Sonia; Al-Deyab, S. Salem; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1549 - m1550
• a: 8.021 ± 0.004 Å
• b: 8.1696 ± 0.0016 Å
• c: 17.919 ± 0.003 Å
• α: 87.31 ± 0.05°
• β: 88.914 ± 0.019°
• γ: 70.1 ± 0.003°
• Cell volume: 1102.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes