Information card for entry 4116258

Structure parameters

• Formula: C112 H118 Cl2 N4 P4 Pt2
• Calculated formula: C112 H118 Cl2 N4 P4 Pt2
• SMILES: c1c2cccc1C[P]([Pt](Cl)([P](Cc1cc(C[P]([Pt](Cl)([P](C2)(c2ccccc2)c2ccccc2)c2c(cccc2CN(C)C)CN(C)C)(c2ccccc2)c2ccccc2)ccc1)(c1ccccc1)c1ccccc1)c1c(cccc1CN(C)C)CN(C)C)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Transcyclometalation Processes with Late Transition Metals: Caryl-H Bond Activation via Noncovalent C-H...Interactions
• Authors of publication: Martin Albrecht; Paulo Dani; Martin Lutz; Anthony L. Spek; Gerard van Koten
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 11822 - 11833
• a: 13.0416 ± 0.0002 Å
• b: 15.5605 ± 0.0003 Å
• c: 24.1866 ± 0.0005 Å
• α: 90°
• β: 92.638 ± 0.001°
• γ: 90°
• Cell volume: 4903.08 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No