Information card for entry 4332312

Structure parameters

• Formula: C6 H11 Cl2 N3 O Pt
• Calculated formula: C6 H11 Cl2 N3 O Pt
• SMILES: [Pt]1(Cl)(Cl)[NH]=C(n2[n]1ccc2)CC.O
• Title of publication: Unusual Reaction between (Nitrile)Pt Complexes and Pyrazoles: Substitution Proceeds via Metal-Mediated Nitrile−Pyrazole Coupling Followed by Elimination of the Nitrile
• Authors of publication: Khripun, Anatoly V.; Kukushkin, Vadim Yu.; Selivanov, Stanislav I.; Haukka, Matti; Pombeiro, Armando J. L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5073 - 5083
• a: 7.3045 ± 0.0006 Å
• b: 10.5777 ± 0.0011 Å
• c: 13.5023 ± 0.0014 Å
• α: 90°
• β: 94.288 ± 0.006°
• γ: 90°
• Cell volume: 1040.33 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0572
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No