Information card for entry 7705113

Structure parameters

• Formula: C42 H52 Ag2 Cl2 N4 Se2
• Calculated formula: C42 H52 Ag2 Cl2 N4 Se2
• 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: 9.7146 ± 0.0006 Å
• b: 11.1573 ± 0.0007 Å
• c: 11.6057 ± 0.0007 Å
• α: 62.337 ± 0.006°
• β: 74.688 ± 0.005°
• γ: 66.627 ± 0.006°
• Cell volume: 1017.76 ± 0.13 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0318
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No