Information card for entry 7004395

Structure parameters

• Formula: C37 H55 N2 Rh
• Calculated formula: C37 H55 N2 Rh
• SMILES: [Rh]1234567([C]8(C(C)C)=[CH]2[CH]3=[CH]4C1(C(C)C)C8=NC(=Nc1c(cccc1C(C)C)C(C)C)C(C)(C)C)[CH]1=[CH]6CC[CH]7=[CH]5CC1
• Title of publication: Flexible coordination of bulky amidinates and guanidinates towards rhodium(i): conversion of kinetic to thermodymanic isomers
• Authors of publication: Jones, Cameron; Mills, David P.; Stasch, Andreas
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 35
• Pages of publication: 4799 - 4804
• a: 12.178 ± 0.002 Å
• b: 15.861 ± 0.003 Å
• c: 16.978 ± 0.003 Å
• α: 90°
• β: 93.63 ± 0.03°
• γ: 90°
• Cell volume: 3272.8 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No