Information card for entry 7001989

Structure parameters

• Formula: C29 H38 Cl3 N2 O Rh
• Calculated formula: C29 H38 Cl3 N2 O Rh
• SMILES: [Rh]123(Cl)(=C4N(CCCN4c4c(OC)cccc4)c4c(cc(cc4C)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.ClCCl
• Title of publication: Expanded ring and functionalised expanded ring N-heterocyclic carbenes as ligands in catalysis
• Authors of publication: Binobaid, Abeer; Iglesias, Manuel; Beetstra, Dirk J.; Kariuki, Benson; Dervisi, Athanasia; Fallis, Ian A.; Cavell, Kingsley J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7099
• a: 9.7164 ± 0.0002 Å
• b: 11.4614 ± 0.0004 Å
• c: 13.2888 ± 0.0004 Å
• α: 86.629 ± 0.002°
• β: 78.935 ± 0.002°
• γ: 82.315 ± 0.001°
• Cell volume: 1438.5 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No