Information card for entry 4305206

Structure parameters

• Formula: C27 H22 Cl N5 Pt
• Calculated formula: C27 H22 Cl N5 Pt
• SMILES: [Pt]1([NH]=C(N=C(N1c1ccccc1)Nc1ccccc1)c1ccccc1)(Cl)[N]#Cc1ccccc1
• 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: 9.1616 ± 0.0005 Å
• b: 10.1225 ± 0.0004 Å
• c: 13.6355 ± 0.0008 Å
• α: 99.329 ± 0.003°
• β: 105.703 ± 0.002°
• γ: 93.557 ± 0.003°
• Cell volume: 1193.75 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No