Information card for entry 1513846

Structure parameters

• Common name: Gandelman-58 (Yuri)
• Formula: C39 H40 Cl4 F6 N3 O6 P2 Pt S2
• Calculated formula: C39 H40 Cl4 F6 N3 O6 P2 Pt S2
• SMILES: [Pt]12([P](CCN3N2N(CC[P]1(c1ccccc1)c1ccccc1)C1=C3CCCC1)(c1ccccc1)c1ccccc1)C.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: 20.729 ± 0.001 Å
• b: 16.7382 ± 0.0008 Å
• c: 13.9693 ± 0.0007 Å
• α: 90°
• β: 93.679 ± 0.002°
• γ: 90°
• Cell volume: 4836.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No