Information card for entry 7036309

Structure parameters

• Formula: C32 H40 Cl2 Ir2 O S2
• Calculated formula: C32 H40 Cl2 Ir2 O S2
• SMILES: [Ir]123456([Cl][Ir]789%10%11([S]1c1ccc%12c%13c(ccc([S]27)c1%13)CC%12)[c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)[c]1([c]6([c]5([c]4([c]31C)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: 14.1227 ± 0.0016 Å
• b: 13.8101 ± 0.0014 Å
• c: 16.308 ± 0.0018 Å
• α: 90°
• β: 101.803 ± 0.002°
• γ: 90°
• Cell volume: 3113.4 ± 0.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.019
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0378
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No