Information card for entry 7055370

Structure parameters

• Formula: C34 H34 Cl2 P2 Pd
• Calculated formula: C34 H34 Cl2 P2 Pd
• SMILES: C1=CC(c2ccccc2[P@@]1(c1ccccc1)[Pd](Cl)([P@@]1(C=CC(c2ccccc12)(C)C)c1ccccc1)Cl)(C)C
• Title of publication: 1,4-Dihydrophosphinolines and their complexes with group 10 metals
• Authors of publication: Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 3336
• a: 12.2369 ± 0.0004 Å
• b: 8.2187 ± 0.0002 Å
• c: 15.0367 ± 0.0005 Å
• α: 90°
• β: 91.105 ± 0.003°
• γ: 90°
• Cell volume: 1511.98 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No