Information card for entry 7045441

Structure parameters

• Formula: C34 H45 N5 O2 S2 Zn
• Calculated formula: C34 H45 N5 O2 S2 Zn
• SMILES: [Zn]12([S]=C(N=C(O1)/C=C/c1ccccc1)N(C(C)C)C(C)C)[S]=C(N=C(O2)/C=C/c1ccccc1)N(C(C)C)C(C)C.N#CC
• 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: 13.8922 ± 0.0016 Å
• b: 7.403 ± 0.0009 Å
• c: 34.25 ± 0.004 Å
• α: 90°
• β: 99.859 ± 0.002°
• γ: 90°
• Cell volume: 3470.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No