Information card for entry 7003045

Structure parameters

• Formula: C40 H30 Cl14 N3 Rh
• Calculated formula: C40 H30 Cl14 N3 Rh
• SMILES: [Rh]12(Cl)([n]3c(c(c(c(c3c3[n]1cccc3)c1ccccc1)c1ccccc1)c1ccccc1)c1c2cccc1)(Cl)[N]#CC.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: 11.853 ± 0.0009 Å
• b: 26.863 ± 0.002 Å
• c: 15.1269 ± 0.0011 Å
• α: 90°
• β: 101.269 ± 0.002°
• γ: 90°
• Cell volume: 4723.7 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No