Information card for entry 2218097

Structure parameters

• Chemical name: tetrakis(1,3,5-triaza-7-phosphaadamantane)copper(I) chloride hexahydrate
• Formula: C24 H60 Cl Cu N12 O6 P4
• Calculated formula: C24 H60 Cl Cu N12 O6 P4
• Title of publication: Three-dimensional hydrogen-bonded supramolecular assembly in tetrakis(1,3,5-triaza-7-phosphaadamantane)copper(I) chloride hexahydrate
• Authors of publication: Kirillov, Alexander M.; Smoleński, Piotr; Guedes da Silva, M. Fátima C.; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m603 - m604
• a: 19.795 ± 0.004 Å
• b: 19.795 ± 0.004 Å
• c: 19.795 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7757 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes