Information card for entry 4342010

Structure parameters

• Formula: C27 H22 Mn N4 O5 Rh
• Calculated formula: C27 H22 Mn N4 O5 Rh
• SMILES: [Mn]([Rh]123[N]4=C(C=C(N1c1c([N]2=C(C=C(N3c2ccccc42)C)C)cccc1)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• 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: 10.7295 ± 0.0007 Å
• b: 11.5936 ± 0.0007 Å
• c: 12.5401 ± 0.0013 Å
• α: 98.187 ± 0.002°
• β: 111.431 ± 0.002°
• γ: 113.253 ± 0.001°
• Cell volume: 1256.93 ± 0.18 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: 0.0274
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No