Information card for entry 4331938

Structure parameters

• Formula: C20 H32 Cl N5 O6
• Calculated formula: C20 H32 Cl N5 O6
• SMILES: [Cl-].O/N=C(/C([NH3+])(C)C)c1ccccc1.O.O=N(=O)[O-].O/N=C(C([NH3+])(C)C)\c1ccccc1
• Title of publication: Kinetic and Thermodynamic Aspects of the Regioselective Addition of Bifunctional Hydroxylaminooxime-type HO-Nucleophiles to Pt-Complexed Nitriles
• Authors of publication: Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Kuznetsov, Maxim L.; Ryabov, Alexander D.; Galanski, Markus; Haukka, Matti; Tretyakov, Eugene V.; Ovcharenko, Victor I.; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2296 - 2306
• a: 23.9451 ± 0.0011 Å
• b: 7.4305 ± 0.0006 Å
• c: 27.368 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4869.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No