Information card for entry 7231990

Structure parameters

• Chemical name: catena-(tris(μ4-1,1'-biphenyl-4,4'-dicarboxylato)-tris-cobalt tetra(μ1-N,N-dimethylformamide)tetra(N,N-dimethylformamide) solvate
• Formula: C63 H73 Co3 N7 O19
• Calculated formula: C63 H73 Co3 N7 O19
• Title of publication: MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight
• Authors of publication: Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 827
• a: 13.1391 ± 0.0007 Å
• b: 13.3582 ± 0.0006 Å
• c: 19.7524 ± 0.001 Å
• α: 90°
• β: 106.272 ± 0.002°
• γ: 90°
• Cell volume: 3328 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No