Information card for entry 7102735

Structure parameters

• Formula: C52 H50 N2 O Rh
• Calculated formula: C52 H50 N2 O Rh
• SMILES: [Rh]123456(N(C7c8c([CH]1=[CH]2c1c7cccc1)cccc8)C1c2c([CH]3=[CH]4c3c1cccc3)cccc2)[NH2]C1c2c([CH]5=[CH]6c3c1cccc3)cccc2.O1CCCC1.CCCCCC
• Title of publication: Amine olefin rhodium(I) complexes: pKa and NH bond strength.
• Authors of publication: Büttner, Torsten; Breher, Frank; Grützmacher, Hansjörg
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 24
• Pages of publication: 2820 - 2821
• a: 35.519 ± 0.002 Å
• b: 35.519 ± 0.002 Å
• c: 12.8788 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16248 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No