Information card for entry 1567826

Structure parameters

• Formula: C20 H22 Au Br2.59 Cl0.41 N6 Pd
• Calculated formula: C20 H22 Au Br2.592 Cl0.408 N6 Pd
• Title of publication: Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand
• Authors of publication: Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 8.2856 ± 0.0004 Å
• b: 12.0023 ± 0.0006 Å
• c: 12.6741 ± 0.0006 Å
• α: 83.517 ± 0.002°
• β: 83.226 ± 0.002°
• γ: 88.824 ± 0.002°
• Cell volume: 1243.56 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No