Information card for entry 4330311

Structure parameters

• Formula: C8 H12 Mn N2 O2 S2
• Calculated formula: C8 H12 Mn N2 O2 S2
• Title of publication: Extended Network Thiocyanate- and Tetracyanoethanide-Based First-Row Transition Metal Complexes
• Authors of publication: Endrit Shurdha; Saul H. Lapidus; Peter W. Stephens; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9655 - 9665
• a: 5.801 ± 0.008 Å
• b: 7.874 ± 0.01 Å
• c: 8.036 ± 0.012 Å
• α: 110.69 ± 0.03°
• β: 99.104 ± 0.016°
• γ: 97.89 ± 0.03°
• Cell volume: 331.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No