Information card for entry 1564982

Structure parameters

• Formula: C30 H34 N2 O6 Zn
• Calculated formula: C30 H34 N2 O6 Zn
• SMILES: [Zn](OC(=O)c1ccc(cc1)c1c(c(C)c(c2ccc(C(=O)[O-])cc2)c(c1C)C)C)([O]=CN(C)C)(OC(=O)c1ccc(cc1)c1c(c(C)c(c2ccc(C(=O)O[Zn]([O]=CN(C)C)[O]=CN(C)C)cc2)c(c1C)C)C)[O]=CN(C)C
• Title of publication: Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand
• Authors of publication: Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119500
• a: 15.472 ± 0.002 Å
• b: 6.935 ± 0.0008 Å
• c: 26.808 ± 0.003 Å
• α: 90°
• β: 99.639 ± 0.009°
• γ: 90°
• Cell volume: 2835.8 ± 0.6 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No