Information card for entry 7064333

Structure parameters

• Formula: C16 H20 Cl N5 O2 Pd S
• Calculated formula: C16 H20 Cl N5 O2 Pd S
• Title of publication: Bromoamination of α,β-unsaturated keto alkenes by palladium(ii) metalallocycles: experimental and theoretical approaches
• Authors of publication: Nandhini, S.; Dharani, S.; Mugesh, B.; Prabusankar, G.; Mohanapriya, S.; Shankar, R.; Prabhakaran, R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 1602 - 1612
• a: 8.6492 ± 0.0003 Å
• b: 10.9746 ± 0.0004 Å
• c: 11.5173 ± 0.0004 Å
• α: 69.71 ± 0.001°
• β: 68.738 ± 0.001°
• γ: 89.247 ± 0.001°
• Cell volume: 947.64 ± 0.06 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 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: 0.0301
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0563
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No