Information card for entry 2226480

Structure parameters

• Chemical name: {<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]propane-1,2-diamine- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}bis(thiocyanato- κ<i>N</i>)manganese(II)
• Formula: C19 H20 Mn N6 S2
• Calculated formula: C19 H20 Mn N6 S2
• SMILES: [Mn]123([n]4ccccc4C(=[N]1C(C)C[N]2=C(C)c1[n]3cccc1)C)(N=C=S)N=C=S
• Title of publication: {<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]propane-1,2-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}bis(thiocyanato-κ<i>N</i>)manganese(II)
• Authors of publication: Wang, Fu-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m777
• a: 8.647 ± 0.003 Å
• b: 9.135 ± 0.002 Å
• c: 14.608 ± 0.003 Å
• α: 84.701 ± 0.003°
• β: 79.407 ± 0.003°
• γ: 70.509 ± 0.003°
• Cell volume: 1068.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1624
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes