Information card for entry 4079388

Structure parameters

• Formula: C28 H37 Cl Fe P2 Pt
• Calculated formula: C28 H37 Cl Fe P2 Pt
• SMILES: [Pt]1(c2ccccc2)(Cl)[P]2([C@H](C)CC[C@H]2C)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([P]31[C@H](C)CC[C@H]3C)[cH]7[cH]8[cH]9[cH]%102
• Title of publication: Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation
• Authors of publication: Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6900
• a: 12.2108 ± 0.0005 Å
• b: 13.9863 ± 0.0006 Å
• c: 16.1809 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2763.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No