Information card for entry 7127192

Structure parameters

• Formula: C61.5 H56 Cl2 P4 Rh2 Se
• Calculated formula: C61.5 H56 Cl2 P4 Rh2 Se
• SMILES: [Rh]123([Rh](Cl)([P](c4ccccc4)(C[P]2(c2ccccc2)c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)C3=[Se])Cl.c1(ccccc1)C.c1(ccccc1)C
• 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: 16.2884 ± 0.0004 Å
• b: 20.0388 ± 0.0005 Å
• c: 22.3244 ± 0.0006 Å
• α: 70.671 ± 0.002°
• β: 75.071 ± 0.002°
• γ: 80.2 ± 0.002°
• Cell volume: 6615 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2326
• Weighted residual factors for all reflections included in the refinement: 0.2599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No