Information card for entry 4083460

Structure parameters

• Formula: C50 H72 Br2 Cl4 N4 Pt2
• Calculated formula: C50 H72 Br2 Cl4 N4 Pt2
• SMILES: Br[Pt]1(C)(C)(Cc2ccc(C[Pt]3(Br)(C)(C)[n]4ccc(cc4c4cc(cc[n]34)C(C)(C)C)C(C)(C)C)cc2)[n]2ccc(cc2c2cc(cc[n]12)C(C)(C)C)C(C)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Binuclear Organoplatinum(IV) Complexes with Bridging Xylenediyl Groups: Formation of Supramolecular Polymers through Hydrogen Bonding
• Authors of publication: Au, Richard H. W.; Fraser, Christopher S. A.; Eisler, Dana J.; Jennings, Michael C.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1719
• a: 12.836 ± 0.0007 Å
• b: 18.6197 ± 0.0012 Å
• c: 12.3901 ± 0.0006 Å
• α: 90°
• β: 114.131 ± 0.003°
• γ: 90°
• Cell volume: 2702.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No