Information card for entry 4075597

Structure parameters

• Formula: C101 H89 Br4 N2 P3 Pt2 Si2
• Calculated formula: C101 H89 Br4 N2 P3 Pt2 Si2
• SMILES: [Pt]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[Si]3([H]1)([PtH]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Si]12c4cc(Br)ccc4N(c4ccc(Br)cc14)C)c1cc(Br)ccc1N(c1ccc(Br)cc13)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Si−H Bond Activation by (Ph3P)2Pt(η2-C2H4) in Dihydrosilicon Tricycles that Also Contain O and N Heteroatoms
• Authors of publication: Braddock-Wilking, Janet; Corey, Joyce Y.; French, Lisa M.; Choi, Eunwoo; Speedie, Victoria J.; Rutherford, Michael F.; Yao, Shu; Xu, Huan; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 3974
• a: 21.9536 ± 0.0003 Å
• b: 18.1694 ± 0.0003 Å
• c: 24.4386 ± 0.0003 Å
• α: 90°
• β: 116.137 ± 0.001°
• γ: 90°
• Cell volume: 8751.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0705
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No