Information card for entry 4069549

Structure parameters

• Formula: C34 H27 Cl4 P Pd
• Calculated formula: C34 H27 Cl4 P Pd
• SMILES: [Pd](=c1c2ccccc2ccc2ccccc12)(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Complexation of (5H)-Dibenzo[a,d]cyclohepten-5-ylidene to Palladium(II) via the Diazo Route and Evidence of C−H···Pd Interactions
• Authors of publication: Taubmann, Christian; Öfele, Karl; Herdtweck, Eberhardt; Herrmann, Wolfgang A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4254
• a: 20.2199 ± 0.0004 Å
• b: 17.5722 ± 0.0004 Å
• c: 16.9145 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6009.9 ± 0.2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No