Information card for entry 4342012

Structure parameters

• Formula: C26 H22 Co N4 O4 Rh
• Calculated formula: C26 H22 Co N4 O4 Rh
• SMILES: [Rh]1234([Co](C4=O)(C#[O])(C#[O])C#[O])[N]4=C(C=C(N1c1c([N]2=C(C=C(N3c2ccccc42)C)C)cccc1)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: 10.787 ± 0.0009 Å
• b: 11.9979 ± 0.001 Å
• c: 12.17 ± 0.001 Å
• α: 70.672 ± 0.002°
• β: 75.601 ± 0.001°
• γ: 70.476 ± 0.001°
• Cell volume: 1383.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No