Information card for entry 4071544

Structure parameters

• Formula: C26.5 H33.5 Cl5 N3 O2 Rh
• Calculated formula: C26.75 H31 Cl5.5 N3 O2 Rh
• Title of publication: Amine-Assisted C−Cl Bond Activation of Aryl Chlorides by a (Phebox)Rh-Chloro Complex
• Authors of publication: Ito, Jun-ichi; Miyakawa, Takeshi; Nishiyama, Hisao
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3312
• a: 13.364 ± 0.004 Å
• b: 15.834 ± 0.005 Å
• c: 16.154 ± 0.005 Å
• α: 105.268 ± 0.007°
• β: 97.952 ± 0.006°
• γ: 90.103 ± 0.007°
• Cell volume: 3263.3 ± 1.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1251
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.2041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No