Information card for entry 7119707

Structure parameters

• Chemical name: compound1b
• Formula: C62 H48 Mn5 N22 O4
• Calculated formula: C62 H48 Mn5 N22 O4
• Title of publication: Separation/purification of ethylene from an acetylene/ethylene mixture in a pillared-layer porous metal-organic framework.
• Authors of publication: Hazra, Arpan; Jana, Saibal; Bonakala, Satyanarayana; Balasubramanian, Sundaram; Maji, Tapas Kumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 36
• Pages of publication: 4907 - 4910
• a: 16.039 ± 0.005 Å
• b: 17.851 ± 0.004 Å
• c: 11.558 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3309.2 ± 1.5 ų
• Cell temperature: 408 ± 2 K
• Ambient diffraction temperature: 408 ± 2 K
• Number of distinct elements: 5
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.1379
• Residual factor for significantly intense reflections: 0.1098
• Weighted residual factors for significantly intense reflections: 0.2647
• Weighted residual factors for all reflections included in the refinement: 0.2883
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No