Information card for entry 4116950

Structure parameters

• Formula: C38 H34 Cl4 N2 Ni P2 S2
• Calculated formula: C38 H34 Cl4 N2 Ni P2 S2
• SMILES: [Ni]12(SC(=CS2)c2cnc3ccccc3n2)[P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Excited State Properties of Quinoxaline-Substituted Platinum 1,2-Enedithiolates
• Authors of publication: Sharada P. Kaiwar; Anthony Vodacek; Neil V. Blough; Robert S. Pilato
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 3311 - 3316
• a: 11.381 ± 0.002 Å
• b: 13.116 ± 0.003 Å
• c: 25.846 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3858.1 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1604
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections: 0.1857
• Weighted residual factors for significantly intense reflections: 0.1609
• Goodness-of-fit parameter for all reflections: 1.105
• Goodness-of-fit parameter for significantly intense reflections: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No