Information card for entry 4074475

Structure parameters

• Common name: cis-PtMe2(psit)2
• Chemical name: cis-dimethybis(10-(4'-dimethylaminophenyl)-9-phsopha- 10-silatriptycene-kP)platinum
• Formula: C94 H130 N2 O14 P2 Pt Si2
• Calculated formula: C94 H130 N2 O14 P2 Pt Si2
• SMILES: [Pt](C)(C)([P]12c3cc(c(cc3[Si](c3c1cc(c(c3)OC(C)C)OC(C)C)(c1c2cc(c(c1)OC(C)C)OC(C)C)c1ccc(cc1)N(C)C)OC(C)C)OC(C)C)[P]12c3cc(c(cc3[Si](c3c1cc(c(c3)OC(C)C)OC(C)C)(c1c2cc(c(c1)OC(C)C)OC(C)C)c1ccc(cc1)N(C)C)OC(C)C)OC(C)C.CC(=O)OCC
• Title of publication: Synthesis, Structure, and Properties of 9-Phospha-10-silatriptycenes and their Derivatives
• Authors of publication: Tsuji, Hayato; Inoue, Tomoyuki; Kaneta, Yasuhiro; Sase, Shohei; Kawachi, Atsushi; Tamao, Kohei
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 26
• Pages of publication: 6142
• a: 15.139 ± 0.004 Å
• b: 16.748 ± 0.004 Å
• c: 20.323 ± 0.005 Å
• α: 80.194 ± 0.011°
• β: 69.414 ± 0.01°
• γ: 78.327 ± 0.011°
• Cell volume: 4696 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No