Information card for entry 4342009

Structure parameters

• Formula: C34 H32 Co N4 O4 Rh
• Calculated formula: C34 H32 Co N4 O4 Rh
• SMILES: [Rh]1234[N]5c6ccccc6[N]1=C(C)C=C(N2c1c(cccc1)[N]3=C(C)C(CC4)C=5C)C.[Co](C#[O])(C#[O])(C#[O])C#[O].c1ccccc1
• Title of publication: Heterobimetallic Complexes of Rhodium Dibenzotetramethylaza[14]annulene [(tmtaa)Rh-M]: Formation, Structures, and Bond Dissociation Energetics.
• Authors of publication: Imler, Gregory H.; Peters, Garvin M.; Zdilla, Michael J.; Wayland, Bradford B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 273 - 279
• a: 35.454 ± 0.002 Å
• b: 10.5231 ± 0.0007 Å
• c: 17.9959 ± 0.0012 Å
• α: 90°
• β: 115.194 ± 0.001°
• γ: 90°
• Cell volume: 6075.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No