Information card for entry 7036307

Structure parameters

• Formula: C78 H88 Cl6 Rh4 S6
• Calculated formula: C78 H88 Cl6 Rh4 S6
• SMILES: c12ccccc2c2c(cccc2)[S]2[Rh]34567([S]1[Rh]189%102([S]7c2c(cccc2)c2c(cccc2)[S]2[Rh]7%11%12%13%14([S]%15c%16c(cccc%16)c%16c(cccc%16)[S]7[Rh]7%16%17%182%15[c]2([c]7([c]%16([c]%17([c]%182C)C)C)C)C)[c]2([c]%11([c]%12([c]%13([c]%142C)C)C)C)C)[c]2([c]1(C)[c]8([c]9([c]%102C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.C(Cl)Cl.[Cl-].C(Cl)Cl.[Cl-]
• 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: 29.217 ± 0.004 Å
• b: 44.75 ± 0.007 Å
• c: 11.2618 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14724 ± 4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No