Information card for entry 8102672

Structure parameters

• Chemical name: (acetylferrocene oxime-<i>k^2^</i><i>C^9^</i>, <i>N</i>)chloro(tricyclohexylphosphine-<i>k</i><i>P</i>) palladium(II), C~30~H~45~ClFeNOPPd
• Formula: C30 H45 Cl Fe N O P Pd
• Calculated formula: C30 H45 Cl Fe N O P Pd
• SMILES: [Pd]1([c]23[Fe]456789%10([cH]%11[cH]4[cH]5[cH]6[cH]7%11)[cH]([cH]8[cH]29)[c]3%10C(=[N]1O)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl
• Title of publication: Crystal structure of (acetylferrocene oxime-k2C9,N)-chloro(tricyclohexylphosphine-kP)palladium(II), PdCl[(C7H7NO)Fe(C5H5)][P(C6H11)3]
• Authors of publication: Su-Zhen Bai; Xin-Hua Lou; Hong-Mei Li; Wei-Chun Yang; Hui Shi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 270
• a: 13.576 ± 0.003 Å
• b: 11.824 ± 0.002 Å
• c: 19.861 ± 0.004 Å
• α: 90°
• β: 104.88 ± 0.03°
• γ: 90°
• Cell volume: 3081.2 ± 1.1 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: 0.0632
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No