Information card for entry 7102734

Structure parameters

• Formula: C47 H37.5 F3 N2.5 O3 Rh S
• Calculated formula: C47 H37.5 F3 N2.5 O3 Rh S
• 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: 21.4185 ± 0.001 Å
• b: 16.5711 ± 0.0008 Å
• c: 22.8224 ± 0.0011 Å
• α: 90°
• β: 109.248 ± 0.001°
• γ: 90°
• Cell volume: 7647.5 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No