Information card for entry 7003047

Structure parameters

• Formula: C74 H52 Cl22 N4 Rh2
• Calculated formula: C74 H52 Cl22 N4 Rh2
• SMILES: c12c(c(c3ccccc3)c(c3[n]1[Rh]1(Cl)([Cl][Rh]45([n]6c(c(c(c(c6c6[n]4cccc6)c4ccccc4)c4ccccc4)c4ccccc4)c4c5cccc4)(Cl)[Cl]1)([n]1c3cccc1)c1c2cccc1)c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Rhodium and palladium complexes of a pyridyl-centred polyphenylene derivative
• Authors of publication: Ollagnier, Cecile M. A.; Perera, Sarath D.; Fitchett, Christopher M.; Draper, Sylvia M.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 283 - 290
• a: 20.2841 ± 0.0012 Å
• b: 20.2395 ± 0.0013 Å
• c: 21.0781 ± 0.0013 Å
• α: 90°
• β: 112.666 ± 0.001°
• γ: 90°
• Cell volume: 7985.1 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No