Information card for entry 7125090

Structure parameters

• Formula: C13 H8 N O4 Zn
• Calculated formula: C13 H8 N O4 Zn
• Title of publication: Creation of new guest accessible space under gas pressure in a flexible MOF: multidimensional insight through combination of in situ techniques.
• Authors of publication: Bhatt, Prashant M.; Batisai, Eustina; Smith, Vincent J.; Barbour, Leonard J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 76
• Pages of publication: 11374 - 11377
• a: 7.9917 ± 0.0013 Å
• b: 9.4227 ± 0.0016 Å
• c: 10.5835 ± 0.0017 Å
• α: 65.314 ± 0.002°
• β: 86.464 ± 0.002°
• γ: 76.513 ± 0.002°
• Cell volume: 703.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No