Information card for entry 7055366

Structure parameters

• Formula: C36 H36 Br2 Cl6 P2 Pd
• Calculated formula: C36 H36 Br2 Cl6 P2 Pd
• SMILES: C1(=CC(c2c(cccc2)[P@]1(c1ccccc1)[Pd](Cl)([P@]1(C(=CC(c2ccccc12)(C)C)Br)c1ccccc1)Cl)(C)C)Br.C(Cl)Cl.C(Cl)Cl
• 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: 8.7824 ± 0.0004 Å
• b: 11.1066 ± 0.0006 Å
• c: 11.4473 ± 0.0006 Å
• α: 103.246 ± 0.005°
• β: 106.855 ± 0.005°
• γ: 107.784 ± 0.005°
• Cell volume: 953.73 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No