Information card for entry 7705115

Structure parameters

• Formula: C46 H64 Au2 Cl2 N4 Se2
• Calculated formula: C46 H64 Au2 Cl2 N4 Se2
• SMILES: [Au]([Se]=C1N(C=CN1C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)[Se]=C1N(C=CN1C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3.[Au](Cl)Cl
• Title of publication: Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.
• Authors of publication: Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 34
• Pages of publication: 12068 - 12081
• a: 7.16904 ± 0.00012 Å
• b: 20.9451 ± 0.0004 Å
• c: 28.7144 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4311.65 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No