Information card for entry 7248052

Structure parameters

• Formula: C18 H19 N11 O9 Zn2
• Calculated formula: C18 H19 N11 O9 Zn2
• 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: 8.7045 ± 0.0003 Å
• b: 15.5177 ± 0.0005 Å
• c: 18.7098 ± 0.0006 Å
• α: 110.77 ± 0.002°
• β: 92.2 ± 0.002°
• γ: 91.272 ± 0.002°
• Cell volume: 2359.49 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.197
• Residual factor for significantly intense reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.2424
• Weighted residual factors for all reflections included in the refinement: 0.3087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No