Information card for entry 7125091

Structure parameters

• Formula: C26.87 H16 N2 O9.73 Zn2
• Calculated formula: C26.865 H16 N2 O9.73 Zn2
• 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: 14.099 ± 0.01 Å
• b: 10.997 ± 0.008 Å
• c: 21.865 ± 0.015 Å
• α: 90°
• β: 93.971 ± 0.009°
• γ: 90°
• Cell volume: 3382 ± 4 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.2319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No