Information card for entry 2212189

Structure parameters

• Chemical name: Tetrakis[3-(pyrazin-2-yloxy)pyridine-κN]dithiocyanatomanganese(II)
• Formula: C38 H28 Mn N14 O4 S2
• Calculated formula: C38 H28 Mn N14 O4 S2
• SMILES: c1ccc(c[n]1[Mn](N=C=S)([n]1cc(Oc2nccnc2)ccc1)(N=C=S)([n]1cc(Oc2nccnc2)ccc1)[n]1cccc(c1)Oc1cnccn1)Oc1cnccn1
• Title of publication: Tetrakis[3-(pyrazin-2-yloxy)pyridine-κ<i>N</i>]dithiocyanatomanganese(II)
• Authors of publication: Zhao, Hong-Yan; Shi, Jing-Min; Liu, Lian-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m441 - m442
• a: 9.421 ± 0.002 Å
• b: 9.729 ± 0.002 Å
• c: 11.65 ± 0.003 Å
• α: 76.749 ± 0.004°
• β: 68.154 ± 0.003°
• γ: 88.666 ± 0.004°
• Cell volume: 962.5 ± 0.4 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: 0.0693
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes