Information card for entry 7248050

Structure parameters

• Formula: C20 H18 N2 O9 Zn
• Calculated formula: C20 H18 N2 O9 Zn
• Title of publication: Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study
• Authors of publication: Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 1268 - 1277
• a: 36.361 ± 0.004 Å
• b: 5.9049 ± 0.0006 Å
• c: 21.101 ± 0.002 Å
• α: 90°
• β: 115.569 ± 0.003°
• γ: 90°
• Cell volume: 4086.9 ± 0.7 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: 0.0426
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No