Information card for entry 7064331

Structure parameters

• Formula: C15 H18 Cl N5 O2 Pd S
• Calculated formula: C15 H18 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: 8.4878 ± 0.0008 Å
• b: 11.0977 ± 0.0011 Å
• c: 11.1379 ± 0.0011 Å
• α: 111.827 ± 0.003°
• β: 109.312 ± 0.003°
• γ: 93.968 ± 0.003°
• Cell volume: 896.74 ± 0.16 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: 0.0553
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0319
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No