Information card for entry 7248051

Structure parameters

• Formula: C17 H12 N6 O6 Zn
• Calculated formula: C17 H12 N6 O6 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: 11.3657 ± 0.0007 Å
• b: 17.0847 ± 0.0014 Å
• c: 9.57 ± 0.0008 Å
• α: 90°
• β: 107.99 ± 0.002°
• γ: 90°
• Cell volume: 1767.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No