Information card for entry 7127191

Structure parameters

• Formula: C58 H53 Cl5 O5 P4 Rh2 S
• Calculated formula: C58 H53 Cl5 O5 P4 Rh2 S
• SMILES: [Rh]123(Cl)([P](c4ccccc4)(c4ccccc4)C[P]([Rh](Cl)([P](c4ccccc4)(C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)(C3=S)C(=C2C(=O)OC)C(=O)OC)(c1ccccc1)c1ccccc1)[OH2].ClC(Cl)Cl
• Title of publication: Dimetalla-heterocyclic carbenes: the interconversion of chalcocarbonyl and carbido ligands.
• Authors of publication: Barnett, Harrison J.; Hill, Anthony F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 83
• Pages of publication: 12593 - 12596
• a: 12.7306 ± 0.0002 Å
• b: 15.6417 ± 0.0003 Å
• c: 30.6406 ± 0.0004 Å
• α: 90°
• β: 92.455 ± 0.001°
• γ: 90°
• Cell volume: 6095.81 ± 0.17 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0597
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No