Information card for entry 7701560

Structure parameters

• Formula: C56 H46 Co2 N6 O14
• Calculated formula: C56 H46 Co2 N6 O14
• Title of publication: Solvent-assisted ligand exchange (SALE) for the enhancement of epoxide ring-opening reaction catalysis based on three amide-functionalized metal-organic frameworks.
• Authors of publication: Gharib, Maniya; Esrafili, Leili; Morsali, Ali; Retailleau, Pascal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8803 - 8814
• a: 24.5947 ± 0.0018 Å
• b: 15.6607 ± 0.0011 Å
• c: 16.3428 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6294.8 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No