Information card for entry 2235489

Structure parameters

• Chemical name: Bromido({2-[2-(diphenylphosphanyl)benzylidene]hydrazin-1-ylidene}(4- methoxyanilino)methanethiolato)palladium(II) acetone monosolvate
• Formula: C30 H29 Br N3 O2 P Pd S
• Calculated formula: C30 H29 Br N3 O2 P Pd S
• SMILES: [Pd]12(Br)SC(=N[N]2=Cc2ccccc2[P]1(c1ccccc1)c1ccccc1)Nc1ccc(OC)cc1.O=C(C)C
• Title of publication: Bromido({2-[2-(diphenylphosphanyl)benzylidene]hydrazin-1-ylidene}(4-methoxyanilino)methanethiolato)palladium(II) acetone monosolvate
• Authors of publication: Mokthar, Khalisah Asilah; Shamsuddin, Mustaffa; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m991 - m992
• a: 9.7594 ± 0.0001 Å
• b: 13.7946 ± 0.0002 Å
• c: 21.8681 ± 0.0003 Å
• α: 90°
• β: 104.092 ± 0.001°
• γ: 90°
• Cell volume: 2855.44 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 8
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes