Information card for entry 7202161

Structure parameters

• Formula: C18 H6 K2 Mn2 N6 O12
• Calculated formula: C18 H6 K2 Mn2 N6 O12
• SMILES: c12ccc3C(=O)O[Mn]4567[n]3[n]2[Mn]23([n]8c(ccc(C(=O)O7)[n]68)C(=O)O2)(OC1=O)[n]1[n]4c(ccc1C(=O)O3)C(O5)=O.[K+].[K+]
• 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: 10.72 ± 0.003 Å
• b: 15.228 ± 0.005 Å
• c: 13.331 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2176.2 ± 1.1 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: 0.0405
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No