Information card for entry 4329296

Structure parameters

• Formula: C13 H18 Cl2 N4 O Pt
• Calculated formula: C13 H18 Cl2 N4 O Pt
• SMILES: [Pt](Cl)(Cl)([NH]=C(ON=C(N)c1ccccc1)CC)[N]#CCC
• Title of publication: Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling
• Authors of publication: Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5950 - 5964
• a: 10.9178 ± 0.0004 Å
• b: 15.4044 ± 0.0006 Å
• c: 10.2575 ± 0.0004 Å
• α: 90°
• β: 106.805 ± 0.002°
• γ: 90°
• Cell volume: 1651.46 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No