Information card for entry 7004396

Structure parameters

• Formula: C39 H60 N3 Rh
• Calculated formula: C39 H60 N3 Rh
• SMILES: [Rh]1234567([C]8(=[CH]1[CH]2=[CH]3C4(C8=NC(=Nc1c(cccc1C(C)C)C(C)C)N(C(C)C)C(C)C)C(C)C)C(C)C)[CH]1=[CH]5CC[CH]6=[CH]7CC1
• 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: 10.163 ± 0.002 Å
• b: 10.502 ± 0.002 Å
• c: 19.025 ± 0.004 Å
• α: 102.33 ± 0.03°
• β: 98.74 ± 0.03°
• γ: 108.69 ± 0.03°
• Cell volume: 1825.1 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No