Information card for entry 7036306

Structure parameters

• Formula: C32 H40 Cl2 O Rh2 S2
• Calculated formula: C32 H40 Cl2 O Rh2 S2
• SMILES: [Rh]123456([Cl][Rh]789%10%11([S]1c1ccc%12c%13c(ccc([S]27)c1%13)CC%12)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[Cl-].O
• 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: 13.9932 ± 0.0011 Å
• b: 13.8243 ± 0.001 Å
• c: 16.3045 ± 0.0011 Å
• α: 90°
• β: 101.801 ± 0.0018°
• γ: 90°
• Cell volume: 3087.4 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.021
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No