Information card for entry 7202164

Structure parameters

• Formula: C18 H14 N8 O12 Zn2
• Calculated formula: C18 H14 N8 O12 Zn2
• SMILES: c12ccc3C(=O)O[Zn]4567[n]3[n]2[Zn]23([n]8c(ccc(C(=O)O7)[n]68)C(=O)O2)(OC1=O)[n]1[n]4c(ccc1C(=O)O3)C(=O)O5.[NH4+].[NH4+]
• Title of publication: Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate
• Authors of publication: Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1384
• a: 10.9117 ± 0.0012 Å
• b: 14.9509 ± 0.0015 Å
• c: 13.3255 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2173.9 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No