Information card for entry 2215316

Structure parameters

• Common name: {3,3'-[ethane-1,2-diylbis(methylimino)]dipropane-1-thiolato}nickel(II)
• Chemical name: {3,3'-[ethane-1,2-diylbis(methylimino)]dipropane-1-thiolato}nickel(II)
• Formula: C10 H22 N2 Ni S2
• Calculated formula: C10 H22 N2 Ni S2
• SMILES: [Ni]123SCCC[N]2(CC[N]3(CCCS1)C)C
• Title of publication: {3,3'-[Ethane-1,2-diylbis(methylimino)]bis(propane-1-thiolato)}nickel(II)
• Authors of publication: Grapperhaus, Craig A.; O'Toole, Martin G.; Mashuta, Mark S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2281 - m2281
• a: 8.229 ± 0.0016 Å
• b: 13.304 ± 0.003 Å
• c: 11.691 ± 0.002 Å
• α: 90°
• β: 92.931 ± 0.003°
• γ: 90°
• Cell volume: 1278.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0231
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes