Information card for entry 2229772

Structure parameters

• Chemical name: Bis[2-methoxy-6-(phenyliminiomethyl)phenolate- κ^2^<i>O</i>,<i>O</i>']bis(thiocyanato-κ<i>N</i>)manganese(II)
• Formula: C30 H26 Mn N4 O4 S2
• Calculated formula: C30 H26 Mn N4 O4 S2
• SMILES: c1c(cccc1)/[NH+]=C/c1c2O[Mn]3(N=C=S)([O](c2ccc1)C)(N=C=S)Oc1c(/C=[NH+]/c2ccccc2)cccc1[O]3C
• Title of publication: Bis[2-methoxy-6-(phenyliminiomethyl)phenolate-κ^2^<i>O</i>,<i>O</i>']bis(thiocyanato-κ<i>N</i>)manganese(II)
• Authors of publication: Shen, Jin-Bei; Ge, Guo-Di; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m463
• a: 9.0204 ± 0.0002 Å
• b: 9.307 ± 0.0002 Å
• c: 9.4087 ± 0.0002 Å
• α: 87.417 ± 0.001°
• β: 82.01 ± 0.001°
• γ: 65.693 ± 0.001°
• Cell volume: 712.81 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes