Information card for entry 7055367

Structure parameters

• Formula: C34 H32 Br2 Cl2 P2 Pt
• Calculated formula: C34 H32 Br2 Cl2 P2 Pt
• SMILES: [Pt]([P@]1(c2ccccc2)c2c(C(C)(C=C1Br)C)cccc2)(Cl)([P@]1(c2ccccc2)c2ccccc2C(C=C1Br)(C)C)Cl.[Pt]([P@@]1(c2ccccc2)c2c(C(C)(C=C1Br)C)cccc2)(Cl)([P@@]1(c2ccccc2)c2ccccc2C(C=C1Br)(C)C)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: 11.3816 ± 0.0003 Å
• b: 18.927 ± 0.0004 Å
• c: 16.0478 ± 0.0004 Å
• α: 90°
• β: 109.582 ± 0.003°
• γ: 90°
• Cell volume: 3257.07 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0282
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No