Information card for entry 7707338

Structure parameters

• Formula: C46 H32 Cl2 Co N4
• Calculated formula: C46 H32 Cl2 Co N4
• Title of publication: Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.
• Authors of publication: Cui, Ruoyu; Niu, Helin; Sheng, Enhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 21
• Pages of publication: 7186 - 7190
• a: 11.969 ± 0.014 Å
• b: 14.578 ± 0.016 Å
• c: 17.092 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2982 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No