Information card for entry 4327837

Structure parameters

• Formula: C37 H30 As Mn N7 S4
• Calculated formula: C37 H30 As Mn N7 S4
• SMILES: [As]1(S[Mn]23(S1)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12)(=S)[S-].[NH3+]C.n1cccc2ccc3cccnc3c12
• 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: 9.8324 ± 0.0003 Å
• b: 14.4376 ± 0.0005 Å
• c: 25.1974 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3576.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No