Information card for entry 7215049

Structure parameters

• Formula: C68 H56 N12 O12 Zn2
• Calculated formula: C68 H56 N12 O12 Zn2
• SMILES: C(=O)(c1cc(c(cc1)N)O)O[Zn]1([n]2ccc(cc2)c2ccncc2)([O]=C(c2ccc(c(O)c2)N)O[Zn]([n]2ccc(cc2)c2ccncc2)([O]=C(O1)c1ccc(N)c(O)c1)(OC(=O)c1cc(c(cc1)N)O)[n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1ccncc1
• Title of publication: Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure
• Authors of publication: Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 3376
• a: 9.91 ± 0.0009 Å
• b: 16.496 ± 0.003 Å
• c: 18.716 ± 0.003 Å
• α: 90°
• β: 104.91 ± 0.008°
• γ: 90°
• Cell volume: 2956.6 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No