Information card for entry 7118056

Structure parameters

• Formula: C20 H16 Cu N10 O4
• Calculated formula: C20 H16 Cu N10 O4
• Title of publication: A π-electron deficient diaminotriazine functionalized MOF for selective sorption of benzene over cyclohexane.
• Authors of publication: Manna, Biplab; Mukherjee, Soumya; Desai, Aamod V.; Sharma, Shivani; Krishna, Rajamani; Ghosh, Sujit K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 84
• Pages of publication: 15386 - 15389
• a: 17.7157 ± 0.0006 Å
• b: 22.1231 ± 0.0008 Å
• c: 25.3814 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9947.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P b n b
• Hall space group symbol: -P 2bc 2ab
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No