Information card for entry 7045440

Structure parameters

• Formula: C32 H42 N4 Ni O2 S2
• Calculated formula: C32 H42 N4 Ni O2 S2
• SMILES: c1c(/C=C/C2=NC(N(C(C)C)C(C)C)=[S][Ni]3(O2)OC(=NC(N(C(C)C)C(C)C)=[S]3)/C=C/c2ccccc2)cccc1
• Title of publication: N,N-Disubstituted-N'-acylthioureas as modular ligands for deposition of transition metal sulfides.
• Authors of publication: Ali, Zahra; Richey, Nathaniel E.; Bock, Duane C.; Abboud, Khalil A.; Akhtar, Javeed; Sher, Muhammad; McElwee-White, Lisa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2719 - 2726
• a: 14.662 ± 0.002 Å
• b: 14.662 ± 0.002 Å
• c: 15.487 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3329.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No