Information card for entry 4077067

Structure parameters

• Formula: C21 H38 B N2 Rh
• Calculated formula: C21 H38 B N2 Rh
• SMILES: [Rh]1234567([N]8([B]1([CH]2=[CH]3[CH]4=8)N(C(C)C)C(C)C)C(C)(C)C)[CH]1=[CH]5CC[CH]6=[CH]7CC1
• Title of publication: The First General Method for the Synthesis of Transition-Metal π Complexes of an Electronically Diverse Family of 1,2-Azaborolyls
• Authors of publication: Liu, Shih-Yuan; Hills, Ivory D.; Fu, Gregory C.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4323
• a: 10.4114 ± 0.0006 Å
• b: 13.3264 ± 0.0008 Å
• c: 15.7688 ± 0.0009 Å
• α: 90°
• β: 105.836 ± 0.001°
• γ: 90°
• Cell volume: 2104.8 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0235
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No