Information card for entry 2214997

Structure parameters

• Chemical name: Diaquabis[2-(2-pyridylmethoxy)pyrazine-κN^4^]bis(thiocyanato-κN)manganese(II)
• Formula: C22 H22 Mn N8 O4 S2
• Calculated formula: C22 H22 Mn N8 O4 S2
• SMILES: C(=N[Mn](N=C=S)([n]1ccnc(c1)OCc1ccccn1)([n]1ccnc(c1)OCc1ccccn1)([OH2])[OH2])=S
• Title of publication: Diaquabis[2-(2-pyridylmethoxy)pyrazine-κ<i>N</i>^4^]bis(thiocyanato-κ<i>N</i>)manganese(II)
• Authors of publication: Li, Jin-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2266 - m2266
• a: 20.06 ± 0.003 Å
• b: 10.1381 ± 0.0012 Å
• c: 13.7285 ± 0.0017 Å
• α: 90°
• β: 110.844 ± 0.002°
• γ: 90°
• Cell volume: 2609.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0326
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes