Information card for entry 7010118

Structure parameters

• Formula: C38 H42.5 Cl5 N2 O P Pt
• Calculated formula: C38 H42.5 Cl5 N2 O P Pt
• SMILES: [Pt](Cl)(Cl)(Cl)(Cl)(Cl)[NH]=C(O/N=C1/C[C@H]2CC[C@@]1(C2(C)C)C)CC.[P+](Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Metal-assisted coupling of oximes and nitriles: a synthetic, structural and theoretical study
• Authors of publication: Kuznetsov, Maxim L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.; Pakkanen, Tapani; Wagner, Gabriele; Pombeiro, Armando J. L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4683
• a: 15.379 ± 0.003 Å
• b: 11.402 ± 0.002 Å
• c: 23.776 ± 0.005 Å
• α: 90°
• β: 100.94 ± 0.03°
• γ: 90°
• Cell volume: 4093.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No