Information card for entry 7125092

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: 7.871 ± 0.003 Å
• b: 9.34 ± 0.003 Å
• c: 10.629 ± 0.003 Å
• α: 65.253 ± 0.004°
• β: 86.362 ± 0.004°
• γ: 77.446 ± 0.004°
• Cell volume: 692.3 ± 0.4 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: 0.0346
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No