Information card for entry 7122141

Structure parameters

• Formula: C59 H34 F Mn3 N O19 P2
• Calculated formula: C58.992 H34 F Mn3 N O19 P2
• Title of publication: Highly selective room temperature acetylene sorption by an unusual triacetylenic phosphine MOF.
• Authors of publication: Reynolds, Joseph E.; Walsh, Kelly M.; Li, Bin; Kunal, Pranaw; Chen, Banglin; Humphrey, Simon M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 71
• Pages of publication: 9937 - 9940
• a: 17.796 ± 0.003 Å
• b: 31.098 ± 0.004 Å
• c: 15.1639 ± 0.0019 Å
• α: 90°
• β: 106.338 ± 0.004°
• γ: 90°
• Cell volume: 8053 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1039
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2472
• Weighted residual factors for all reflections included in the refinement: 0.2633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No