Information card for entry 7036305

Structure parameters

• Formula: C40 H42 Rh2 S4
• Calculated formula: C40 H42 Rh2 S4
• SMILES: c12cccc3cccc(S[Rh]45678([S]1[Rh]19%10%11%12([S]8c8cccc%13cccc(S1)c8%13)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C)c23
• Title of publication: Structural diversity of bimetallic rhodium and iridium half sandwich dithiolato complexes.
• Authors of publication: Nejman, Phillip S.; Morton-Fernandez, Brian; Moulding, David J.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16758 - 16766
• a: 9.912 ± 0.004 Å
• b: 16.351 ± 0.007 Å
• c: 10.915 ± 0.005 Å
• α: 90°
• β: 90.662 ± 0.012°
• γ: 90°
• Cell volume: 1768.9 ± 1.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No