Information card for entry 2220791

Structure parameters

• Chemical name: Di-μ-chlorido-bis{aquachlorido[3-ethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>- 1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^^5^]manganese(II)}
• Formula: C30 H32 Cl4 Mn2 N8 O2
• Calculated formula: C30 H32 Cl4 Mn2 N8 O2
• SMILES: c1cccc2c3[n](nc(CC)n3c3ccccc3)[Mn]3([n]12)([OH2])([Cl][Mn]1([n]2ccccc2c2[n]1nc(CC)n2c1ccccc1)([OH2])([Cl]3)Cl)Cl
• Title of publication: Di-μ-chlorido-bis{aquachlorido[3-ethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]manganese(II)}
• Authors of publication: Wang, Zuoxiang; Gong, Ixaoning; Liu, Chunyi; Zhang, Xiaoming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m157
• a: 9.9369 ± 0.0015 Å
• b: 8.9369 ± 0.0013 Å
• c: 19.642 ± 0.003 Å
• α: 90°
• β: 103.323 ± 0.002°
• γ: 90°
• Cell volume: 1697.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes