Information card for entry 7020452

Structure parameters

• Formula: C40 H38 F3 N4 O3 P Pt S
• Calculated formula: C40 H38 F3 N4 O3 P Pt S
• SMILES: [Pt]1([n]2nc(c3c(c2c2[n]1cccc2)CCCCCC3)c1ncccc1)(C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Self-assembly of isomeric clamshell dimers of platinum(II).
• Authors of publication: McCready, Matthew S.; Puddephatt, Richard J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 40
• Pages of publication: 12378 - 12385
• a: 9.8817 ± 0.0002 Å
• b: 11.17 ± 0.0002 Å
• c: 18.5352 ± 0.0003 Å
• α: 83.127 ± 0.001°
• β: 78.985 ± 0.001°
• γ: 66.785 ± 0.001°
• Cell volume: 1843.37 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No