Information card for entry 4305201

Structure parameters

• Formula: C6 H13 Cl2 N3 Pt
• Calculated formula: C6 H13 Cl2 N3 Pt
• SMILES: [Pt]1([NH]=C(NC(=[NH]1)CC)CC)(Cl)Cl
• Title of publication: Novel Tailoring Reaction for Two Adjacent Coordinated Nitriles Giving Platinum 1,3,5-Triazapentadiene Complexes
• Authors of publication: Pavel V. Gushchin; Marina R. Tyan; Nadezhda A. Bokach; Mikhail D. Revenco; Matti Haukka; Meng-Jiy Wang; Cheng-Hsuan Lai; Pi-Tai Chou; Vadim Yu. Kukushkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11487 - 11500
• a: 7.0744 ± 0.0002 Å
• b: 10.943 ± 0.0002 Å
• c: 13.4809 ± 0.0003 Å
• α: 90°
• β: 101.901 ± 0.001°
• γ: 90°
• Cell volume: 1021.19 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0217
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No