Information card for entry 7045439

Structure parameters

• Formula: C36 H50 Cu N4 O3 S2
• Calculated formula: C36 H50 Cu1.002 N4 O3 S2
• 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: 10.5648 ± 0.0007 Å
• b: 11.9358 ± 0.0008 Å
• c: 15.2248 ± 0.001 Å
• α: 79.683 ± 0.001°
• β: 72.251 ± 0.001°
• γ: 84.015 ± 0.001°
• Cell volume: 1796.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No