Information card for entry 7202165

Structure parameters

• Formula: C18 H10 Mn2 N6 Na2 O14
• Calculated formula: C18 H10 Mn2 N6 Na2 O14
• SMILES: [Mn]12345OC(=O)c6[n]3[n]3[Mn]78(OC(=O)c3cc6)(OC(=O)c3[n]7[n]4c(C(=O)O1)cc3)OC(=O)c1[n]8[n]5c(C(=O)O2)cc1.[Na+].O.[Na+].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: 9.5936 ± 0.0017 Å
• b: 13.01 ± 0.002 Å
• c: 18.569 ± 0.003 Å
• α: 90°
• β: 101.359 ± 0.002°
• γ: 90°
• Cell volume: 2272.3 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No