Information card for entry 4322370

Structure parameters

• Formula: C38 H30 N2 Ni2 S8
• Calculated formula: C38 H30 N2 Ni2 S8
• SMILES: [n]12c3C[S]4c5ccccc5[S]5[Ni]624([S](c2c(cccc2)S6)Cc1ccc3)[S]1c2ccccc2[S]2Cc3[n]4c(C[S]6c7c(S[Ni]51246)cccc7)ccc3
• 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: 8.376 ± 0.002 Å
• b: 10.649 ± 0.002 Å
• c: 10.942 ± 0.002 Å
• α: 77.56 ± 0.01°
• β: 79.19 ± 0.02°
• γ: 81.24 ± 0.02°
• Cell volume: 929.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.175
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections: 0.1486
• Weighted residual factors for significantly intense reflections: 0.126
• Goodness-of-fit parameter for all reflections: 0.685
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No