Information card for entry 7202160

Structure parameters

• Formula: C18 H10 N6 Na2 O14 Zn2
• Calculated formula: C18 H10 N6 Na2 O14 Zn2
• SMILES: [Zn]12345OC(=O)c6[n]2[n]2c(cc6)C(O[Zn]672(OC(=O)c2[n]6[n]3c(cc2)C(O1)=O)OC(=O)c1[n]7[n]5c(cc1)C(O4)=O)=O.[Na+].[Na+].O.O
• 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: 11.2436 ± 0.0012 Å
• b: 15.2627 ± 0.0016 Å
• c: 13.0841 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2245.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No