Information card for entry 7223864

Structure parameters

• Chemical name: Poly{[bis(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')(mu4-biphenyl-4,4'-dicarboxylato-kO:kO,O':kO'':kO'',O''')(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)trizinc(II)]pentakisdimethylformamide}
• Formula: C69 H69 N9 O17 Zn3
• Calculated formula: C54 H34 N4 O12 Zn3
• 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: 47.928 ± 0.004 Å
• b: 13.828 ± 0.001 Å
• c: 26.187 ± 0.002 Å
• α: 90°
• β: 114.491 ± 0.002°
• γ: 90°
• Cell volume: 15794 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No