Information card for entry 7236547

Structure parameters

• Formula: C36 H78 Ca Cu6 N6 O34
• Calculated formula: C36 H48 Ca Cu6 N6 O34
• Title of publication: Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs
• Authors of publication: Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 22
• Pages of publication: 11032
• a: 17.783 ± 0.003 Å
• b: 17.783 ± 0.003 Å
• c: 12.889 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3529.9 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.2383
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.229
• Weighted residual factors for all reflections included in the refinement: 0.3194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No