Information card for entry 4070715

Structure parameters

• Formula: C54 H69 Ir N3 P Si4 Sn
• Calculated formula: C54 H69 Ir N3 P Si4 Sn
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[IrH]1234(c2c(ccc(c2)C)N2[Si](C)(C)[Si]3(C)[Si](C)(C)N(c4ccc(cc4)C)[Sn]12N(c1ccc(cc1)C)[Si]3(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Triamidostannates(II) as Sterically Demanding Ligands for Rhodium and Iridium
• Authors of publication: Kilian, Michaela; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 524
• a: 12.91 ± 0.005 Å
• b: 16.198 ± 0.008 Å
• c: 28.002 ± 0.009 Å
• α: 90°
• β: 115.862 ± 0.019°
• γ: 90°
• Cell volume: 5269 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No