Information card for entry 4309170

Structure parameters

• Formula: C13 H13 Cl N2
• Calculated formula: C13 H13 Cl N2
• SMILES: [Cl-].N/C(=[NH+]\c1ccccc1)c1ccccc1
• Title of publication: Nitrile-Amidine Coupling at Pt(IV) and Pt(II) Centers. An Easy Entry to Imidoylamidine Complexes
• Authors of publication: Nadezhda A. Bokach; Tatyana V. Kuznetsova; Svetlana A. Simanova; Matti Haukka; Armando J. L. Pombeiro; Vadim Yu. Kukushkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5152 - 5160
• a: 16.4592 ± 0.0002 Å
• b: 16.4592 ± 0.0002 Å
• c: 8.8506 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2397.67 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No