Information card for entry 4510768

Structure parameters

• Formula: C12 H6 N O22 P6 Zn5
• Calculated formula: C12 H6 N O22 P6 Zn5
• Title of publication: Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration
• Authors of publication: Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2973
• a: 8.44253 ± 0.00017 Å
• b: 16.285 ± 0.0004 Å
• c: 19.8132 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2724.05 ± 0.1 ų
• Cell temperature: 333 K
• Ambient diffraction temperature: 333 K
• Number of distinct elements: 6
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0342
• Goodness-of-fit parameter for all reflections: 1.78
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6124 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No