Information card for entry 7037158

Structure parameters

• Formula: C38 H46 F3 N3 O9 P Rh S
• Calculated formula: C38 H46 F3 N3 O9 P Rh S
• SMILES: [Rh]12345([P]67CN8CN(C6)CN(C7)C8)([O]=C(/C=C/c6cc(OC)c(O)cc6)C=C(O1)\C=C\c1cc(OC)c(O)cc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Organometallic rhodium(iii) and iridium(iii) cyclopentadienyl complexes with curcumin and bisdemethoxycurcumin co-ligands.
• Authors of publication: Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Condello, Francesca; Petrini, Agnese; Scopelliti, Rosario; Riedel, Tina; Dyson, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20523 - 20531
• a: 9.6907 ± 0.0005 Å
• b: 13.8415 ± 0.0016 Å
• c: 16.1294 ± 0.0016 Å
• α: 71.423 ± 0.008°
• β: 88.332 ± 0.007°
• γ: 76.42 ± 0.006°
• Cell volume: 1991 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No