Information card for entry 4320536

Structure parameters

• Formula: C5 H5 Br N O3 P Zn
• Calculated formula: C5 H4 Br N O3 P Zn
• 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: 15.267 ± 0.004 Å
• b: 11.903 ± 0.002 Å
• c: 10.38 ± 0.002 Å
• α: 90°
• β: 98.68 ± 0.02°
• γ: 90°
• Cell volume: 1864.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1601
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No