Information card for entry 4344807

Structure parameters

• Formula: C6 H18 Cl2 Mn N18 O4
• Calculated formula: C6 H18 Cl2 Mn N18 O4
• SMILES: c12n(cn[n]2[Mn]23([NH2]N1)([n]1c(n(cn1)N)N[NH2]2)[NH2]Nc1n(cn[n]31)N)N.[O-]Cl(=O)(=O)=O.[Cl-]
• Title of publication: Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.
• Authors of publication: Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 322
• a: 9.5156 ± 0.0002 Å
• b: 9.5156 ± 0.0002 Å
• c: 6.1577 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 482.86 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No