Information card for entry 4113390

Structure parameters

• Formula: C81 H72 Cl2 F12 N10 O2 Pt3 Sb2
• Calculated formula: C81 H72 Cl2 F12 N10 O2 Pt3 Sb2
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Pt](Cl)([n]34)[n]12)c1cc2c(cc1)CCc1c2nc2c(c1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)CCc1c2cc(cc1)c1cc2c3cccc[n]3[Pt]3(Cl)[n]4c(cccc4)c(c1)[n]23.c12ccccc1[N]1=Cc3c(cccc3)O[Pt]1(O2)[NH3].C(#N)CC.F[Sb](F)(F)(F)([F-])F.F[Sb](F)(F)(F)([F-])F
• Title of publication: Supramolecular Recognition. Terpyridyl Palladium and Platinum Molecular Clefts and Their Association with Planar Platinum Complexes
• Authors of publication: Andrew J. Goshe; Ian M. Steele; B. Bosnich
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 444 - 451
• a: 10.5 ± 0.002 Å
• b: 19.809 ± 0.004 Å
• c: 21.842 ± 0.004 Å
• α: 98.52 ± 0.03°
• β: 96.69 ± 0.03°
• γ: 102.7 ± 0.03°
• Cell volume: 4330.3 ± 1.7 ų
• Cell temperature: 110 ± 5 K
• Ambient diffraction temperature: 110 ± 5 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: 0.0766
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.72588 Å
• Diffraction radiation type: monochromatic
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No