Information card for entry 4346106

Structure parameters

• Formula: C41 H90 O P4 Rh2 S3
• Calculated formula: C41 H90 O P4 Rh2 S3
• SMILES: [Rh]12([S]3[Rh]4([S]1C3=S)[P](CC[P]4(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[P](CC[P]2(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.O(CC)CC
• Title of publication: Chalcogen extrusion from heteroallenes and carbon monoxide by a three-coordinate rh(i) disilylamide.
• Authors of publication: Whited, Matthew T.; Qiu, Lisa; Kosanovich, Alex J.; Janzen, Daron E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3670 - 3679
• a: 11.2078 ± 0.0019 Å
• b: 20.257 ± 0.003 Å
• c: 22.118 ± 0.004 Å
• α: 90°
• β: 95.349 ± 0.002°
• γ: 90°
• Cell volume: 4999.7 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• 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: 0.1018
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No