Information card for entry 7719678

Structure parameters

• Formula: C54 H45 Ag0.94 Au0.9 Cl2.84 N5
• Calculated formula: C50 H36 Ag0.94 Au0.9 Cl0.84 N5
• Title of publication: Imidazo[1,5]carbachlorin as a hybrid ligand.
• Authors of publication: Szydełko, Kinga; Koniarz, Sebastian; Białek, Michał J; Chmielewski, Piotr J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 44
• Pages of publication: 16461 - 16474
• a: 16.486 ± 0.0002 Å
• b: 9.1588 ± 0.00012 Å
• c: 30.2897 ± 0.0004 Å
• α: 90°
• β: 92.7667 ± 0.0012°
• γ: 90°
• Cell volume: 4568.17 ± 0.1 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0663
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No