Information card for entry 4342011

Structure parameters

• Formula: C29 H27 Fe N4 O2 Rh
• Calculated formula: C29 H27 Fe N4 O2 Rh
• SMILES: [Rh]123([Fe]4567([cH]8[cH]5[cH]7[cH]6[cH]48)(C#[O])C#[O])N4C(=CC(=[N]3c3c(N1C(=CC(=[N]2c1c4cccc1)C)C)cccc3)C)C
• 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: 16.5043 ± 0.0008 Å
• b: 9.4951 ± 0.0004 Å
• c: 17.6056 ± 0.0008 Å
• α: 90°
• β: 115.559 ± 0.001°
• γ: 90°
• Cell volume: 2489 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No