Information card for entry 7208981

Structure parameters

• Formula: C54 H104 Cd7 N12 O50 P6
• Calculated formula: C54 H60 Cd7 N12 O50 P6
• Title of publication: Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates
• Authors of publication: Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 802
• a: 22.891 ± 0.002 Å
• b: 22.891 ± 0.002 Å
• c: 13.1165 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5952.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No