Information card for entry 4306947

Structure parameters

• Formula: C24 H20 Cl2 Mn2 N10 O2
• Calculated formula: C24 H20 Cl2 Mn2 N10 O2
• SMILES: [n]12ccccc1c1n3[Mn]42([OH2])([n]2n5c(nc2c2cccc[n]42)c2[n](cccc2)[Mn]25([n]3c(n1)c1cccc[n]21)(Cl)[OH2])Cl
• Title of publication: In Situ Solvothermal Generation of 1,2,4-Triazolates and Related Compounds from Organonitrile and Hydrazine Hydrate: A Mechanism Study
• Authors of publication: Lin Cheng; Wei-Xiong Zhang; Bao-Hui Ye; Jian-Bin Lin; Xiao-Ming Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1135 - 1143
• a: 12.7851 ± 0.0017 Å
• b: 15.0878 ± 0.0019 Å
• c: 27.705 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5344.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No