Information card for entry 1513849

Structure parameters

• Formula: C38 H40 Cl5 F6 N3 O6 P2 Pt S2
• Calculated formula: C38 H40 Cl5 F6 N3 O6 P2 Pt S2
• SMILES: [Pt]12(Cl)[P](c3ccccc3)(c3ccccc3)CCN3N2N(CC[P]1(c1ccccc1)c1ccccc1)C1=C3CCCC1.ClCCl.ClCCl.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Cation‒cation bonding in nitrenium metal complexes
• Authors of publication: Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1305
• a: 26.8737 ± 0.0003 Å
• b: 12.5922 ± 0.0002 Å
• c: 16.0468 ± 0.0001 Å
• α: 90°
• β: 120.726 ± 0.001°
• γ: 90°
• Cell volume: 4667.93 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No