Information card for entry 4320539

Structure parameters

• Formula: C12 H13.5 Cd N2 O7 P2 S
• Calculated formula: C11.5 H8 Cd N2 O6.5 P2 S0.5
• Title of publication: New Open Frameworks Based on Metal Pyridylphosphonates
• Authors of publication: Ponnaiyan Ayyappan; Owen R. Evans; Bruce M. Foxman; Kraig A. Wheeler; Timothy H. Warren; Wenbin Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5954 - 5961
• a: 15.114 ± 0.002 Å
• b: 15.114 ± 0.002 Å
• c: 13.128 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2998.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No