Information card for entry 1515691

Structure parameters

• Formula: C60 H41 B Cl2 F30 Pt3
• Calculated formula: C60 H41 B Cl2 F30 Pt3
• SMILES: [Pt]12345([Pt]6789%10([Pt]%11%12%131(C1[CH]7=[CH]6C=[CH]3[CH]2=[CH]%111)(C1[CH]9=[CH]8[CH]5=[CH]4C=[CH]%121)[CH2]=[CH2]%13)[CH2]=[CH2]%10)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.ClCCCl.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl
• Authors of publication: Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 117
• a: 12.3189 ± 0.0005 Å
• b: 15.2911 ± 0.0006 Å
• c: 16.4704 ± 0.0005 Å
• α: 97.219 ± 0.001°
• β: 90.674 ± 0.001°
• γ: 105.503 ± 0.001°
• Cell volume: 2962.6 ± 0.19 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No