Information card for entry 8102690

Structure parameters

• Chemical name: (acetylferrocene oxime-<i>k^2^</i><i>C^6^</i>, <i>N</i>)chloro(2-dicyclohexylphosphanyl-2^'^-(N,N-dimethylamino) biphenyl-<i>k</i><i>P</i>)palladium(II), C~38~H~48~ClFeN~2~OPPd
• Formula: C38 H48 Cl Fe N2 O P Pd
• Calculated formula: C38 H48 Cl Fe N2 O P Pd
• SMILES: [Pd]1([c]23[Fe]456789%10([cH]%11[cH]7[cH]6[cH]5[cH]4%11)[cH]2[cH]8[cH]9[c]3%10C(=[N]1O)C)(Cl)[P](C1CCCCC1)(C1CCCCC1)c1ccccc1c1ccccc1N(C)C
• Title of publication: Crystal structure of (acetylferrocene oxime-k2C6,N)-chloro-(2-dicyclohexylphosphanyl-2'-(N,N-dimethylamino)biphenyl-kP)palladium(II), PdCl[(C7H7NO)Fe(C5H5)][P(C6H11)2(C14H14N)]
• Authors of publication: Hong Li; Hong-Mei Li; Jun-Ling Si; Duo-Bin Mao; Yu-Qing Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 333
• a: 18.378 ± 0.004 Å
• b: 11.744 ± 0.002 Å
• c: 18.808 ± 0.004 Å
• α: 90°
• β: 115.89 ± 0.03°
• γ: 90°
• Cell volume: 3651.9 ± 1.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0559
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No