Information card for entry 4073864

Structure parameters

• Formula: C70 H84 Cl4 F12 Ir4 N4 O22 S4
• Calculated formula: C68 H80 Cl4 F6 Ir4 N4 O16 S2
• SMILES: C12=[O][Ir]34567([n]8ccc(cc8)c8cc[n](cc8)[Ir]89%10%11%12([O]=C%13C(O8)=[O][Ir]8%14%15%16([n]%17ccc(cc%17)c%17cc[n](cc%17)[Ir]%17%18%19%20(O2)([O]=C1O3)[c]1([c]%17([c]%18([c]%19([c]%201C)C)C)C)C)(O%13)[c]1([c]8([c]%14([c]%15([c]%161C)C)C)C)C)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]4([c]5(C)[c]7([c]61C)C)C)C.FC(S(=O)(=O)[O-])(F)F.O.C(Cl)Cl.FC(F)(F)S(=O)(=O)[O-].O.C(Cl)Cl
• Title of publication: Stepwise Formation of Tetra- and Hexanuclear Iridium and Rhodium Complexes Containing Oxalato Ligands
• Authors of publication: Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Weng, Lin-Hong; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5848
• a: 12.685 ± 0.01 Å
• b: 14.25 ± 0.011 Å
• c: 15.672 ± 0.012 Å
• α: 95.394 ± 0.012°
• β: 111.274 ± 0.01°
• γ: 116.316 ± 0.009°
• Cell volume: 2253 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No