Information card for entry 7250937

Structure parameters

• Common name: ESRF-1
• Chemical name: catena-[(m4-5,10,15,20-tetrakis(4-Pyridyl)porphyrin-N,N',N'',N''')-bis(chloro)-cadmium(ii)]
• Formula: C40 H26 Cd Cl2 N8
• Calculated formula: C40 H26 Cd Cl2 N8
• Title of publication: Structural adaptation in a cadmium–porphyrin MOF through solvent-driven change of interpenetration
• Authors of publication: Ernst, Michelle; Poręba, Tomasz
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 43
• Pages of publication: 7032 - 7037
• a: 12.8121 ± 0.0002 Å
• b: 15.663 ± 0.0002 Å
• c: 20.3134 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4076.41 ± 0.11 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.2276
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.40988 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No