Information card for entry 7223863

Structure parameters

• Chemical name: Poly{[tris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')diaquatricadmium(II)]dimethylformamide}
• Formula: C45 H35 Cd3 N O15
• Calculated formula: C42 H24 Cd3 O14
• Title of publication: Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid
• Authors of publication: Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1282
• a: 14.07 ± 0.006 Å
• b: 14.07 ± 0.006 Å
• c: 19.864 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3406 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No