Information card for entry 7248879

Structure parameters

• Formula: C64.85 H54.65 N6.95 O16.95 Zn2
• Calculated formula: C65.135 H55.315 N7.045 O17.045 Zn2
• Title of publication: Three-dimensional metal–organic frameworks (MOFs) containing substituted diimide ligands: synthesis, structures and gas sorption studies
• Authors of publication: Mbonzhe, Luccile; Mushango, Lufuno; Chatterjee, Nabanita; Loots, Leigh; Oliver, Clive L.; Batisai, Eustina
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 3665 - 3671
• a: 13.7978 ± 0.0007 Å
• b: 14.4468 ± 0.0008 Å
• c: 16.7912 ± 0.0009 Å
• α: 77.112 ± 0.002°
• β: 80.384 ± 0.002°
• γ: 67.4 ± 0.002°
• Cell volume: 2999.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No