Information card for entry 7161172

Structure parameters

• Formula: C16 H16 Cl2 N4 O Pd
• Calculated formula: C16 H16 Cl2 N4 O Pd
• Title of publication: Synthesis of mesoionic carbene-triazole based Pd(II) complex: promoting C-H activation toward N-aryl carbazoles
• Authors of publication: Gahlaut, Puneet Singh; Shekhawat, Bhawana; Lama, Prem; Jana, Barun
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 9.0409 ± 0.001 Å
• b: 7.1271 ± 0.0008 Å
• c: 27.278 ± 0.003 Å
• α: 90°
• β: 95.896 ± 0.003°
• γ: 90°
• Cell volume: 1748.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.441
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No