Information card for entry 4322371

Structure parameters

• Formula: C19 H17 Fe N3 S2
• Calculated formula: C19 H17 Fe N3 S2
• SMILES: [Fe]1234Sc5ccccc5[NH]2Cc2[n]4c(C[NH]3c3c(S1)cccc3)ccc2
• Title of publication: Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptophenylthio)dimethylpyridine(2-))
• Authors of publication: Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5314 - 5322
• a: 12.903 ± 0.003 Å
• b: 9.603 ± 0.005 Å
• c: 14.219 ± 0.003 Å
• α: 90°
• β: 96.52 ± 0.02°
• γ: 90°
• Cell volume: 1750.4 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.1266
• Weighted residual factors for significantly intense reflections: 0.1235
• Goodness-of-fit parameter for all reflections: 0.955
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No