Information card for entry 4327838

Structure parameters

• Common name: (CH3NH3)2{[Mn(phen)]2(AsS4)2}
• Chemical name: (CH3NH3)2{[Mn(phen)]2(AsS4)2}
• Formula: C26 H28 As2 Mn2 N6 S8
• Calculated formula: C26 H28 As2 Mn2 N6 S8
• SMILES: c1[n]2c3c4[n](cccc4ccc3cc1)[Mn]1342[S]2[As](S1)(=S)S[Mn]152([n]2cccc6ccc7ccc[n]1c7c26)[S]3[As](S5)(=S)S4.C[NH3+].C[NH3+]
• Title of publication: Structural Diversity, Optical and Magnetic Properties of a Series of Manganese Thioarsenates with 1,10-Phenanthroline or 2,2'-Bipyridine Ligands: Using Monodentate Methylamine as an Alkalinity Regulator
• Authors of publication: Guang-Ning Liu; Guo-Cong Guo; Feng Chen; Shuai-Hua Wang; Jing Sun; Jin-Shun Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 472 - 482
• a: 9.7436 ± 0.0015 Å
• b: 20.901 ± 0.003 Å
• c: 8.6028 ± 0.0011 Å
• α: 90°
• β: 94.682 ± 0.011°
• γ: 90°
• Cell volume: 1746.1 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No