Information card for entry 2012952

Structure parameters

• Chemical name: Bis(1-pyridin-2-ylethanone-κN 4-phenylthiosemicarbazonato-κ^2^N^4^,S)manganese(II)
• Formula: C28 H26 Mn N8 S2
• Calculated formula: C28 H26 Mn N8 S2
• SMILES: c1cccc2C(C)=[N]3N=C(Nc4ccccc4)S[Mn]453([n]12)[n]1ccccc1C(C)=[N]4N=C(Nc1ccccc1)S5
• Title of publication: Bis[1-(pyridin-2-yl)ethanone-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^4^,<i>S</i>]manganese(II)
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Hoong-Kun Fun; A. Sreekanth; S. Sivakumar; M. R. Pratapchandra Kurup
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: m461 - m463
• a: 13.5897 ± 0.0001 Å
• b: 18.7968 ± 0.0001 Å
• c: 10.9688 ± 0.0001 Å
• α: 90°
• β: 96.427 ± 0.001°
• γ: 90°
• Cell volume: 2784.29 ± 0.04 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0738
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes