Information card for entry 2226374

Structure parameters

• Chemical name: {<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]ethane-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: C18 H18 Mn N6 S2
• Calculated formula: C18 H18 Mn N6 S2
• SMILES: C1(=[N]2CC[N]3[Mn]2([n]2ccccc12)(N=C=S)([n]1ccccc1C=3C)N=C=S)C
• Title of publication: {<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]ethane-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: m776
• a: 12.57 ± 0.004 Å
• b: 16.341 ± 0.005 Å
• c: 9.962 ± 0.003 Å
• α: 90°
• β: 90.857 ± 0.004°
• γ: 90°
• Cell volume: 2046 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0928
• 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: Yes