Information card for entry 7223865

Structure parameters

• Chemical name: Poly{[bis(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)dizinc(II)]heptakisdimethylformamide}
• Formula: C61 H75 N11 O15 Zn2
• Calculated formula: C40 H26 N4 O8 Zn2
• 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: 15.174 ± 0.002 Å
• b: 15.185 ± 0.002 Å
• c: 18.174 ± 0.002 Å
• α: 81.094 ± 0.003°
• β: 84.734 ± 0.003°
• γ: 78.952 ± 0.003°
• Cell volume: 4052.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No