Information card for entry 7126258

Structure parameters

• Formula: C48.5 H33 Ag Au Cl4 N5
• Calculated formula: C48.5 H33 Ag Au Cl4 N5
• Title of publication: First imidazole-fused carbaporphyrinoid and its conversion to a N-heterocyclic carbene precursor.
• Authors of publication: Ren, Demin; Koniarz, Sebastian; Li, Xiaofang; Chmielewski, Piotr J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 35
• Pages of publication: 4836 - 4839
• a: 9.9193 ± 0.0005 Å
• b: 13.7034 ± 0.0008 Å
• c: 15.7321 ± 0.0008 Å
• α: 75.013 ± 0.005°
• β: 84.724 ± 0.004°
• γ: 78.55 ± 0.004°
• Cell volume: 2022.72 ± 0.19 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: 0.0574
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No