Information card for entry 4081693

Structure parameters

• Common name: MAB.III.112
• Formula: C32 H24 F22 N6 O8 Pt S4
• Calculated formula: C32 H24 F22 N6 O8 Pt S4
• SMILES: c1cc(cc2c3cc(cc[n]3[Pt]([n]12)([n]1c(c(c(c(c1F)F)F)F)F)[n]1c(c(c(c(c1F)F)F)F)F)C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F
• Title of publication: Isolation of a Dicationic Platinum Complex with Two Accessible Coordination Sites
• Authors of publication: Bowring, Miriam A.; Bergman, Robert G.; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5266
• a: 11.3438 ± 0.0016 Å
• b: 13.823 ± 0.0019 Å
• c: 17.075 ± 0.002 Å
• α: 90.571 ± 0.009°
• β: 109.052 ± 0.008°
• γ: 103.315 ± 0.008°
• Cell volume: 2452.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No