Information card for entry 4340450

Structure parameters

• Formula: C39 H41 Cr N3 O4
• Calculated formula: C39 H41 Cr N3 O4
• SMILES: [Cr]1([N]2=C(C=C(N(C2c2[n]1cccc2)c1c(cccc1C(C)C)C(C)C)C)C)(C#[O])(C#[O])(C#[O])C#[O].c1ccccc1.c1ccccc1
• Title of publication: Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.
• Authors of publication: Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7467 - 7484
• a: 9.6836 ± 0.0007 Å
• b: 13.1687 ± 0.0009 Å
• c: 14.8173 ± 0.001 Å
• α: 97.047 ± 0.002°
• β: 102.152 ± 0.003°
• γ: 107.505 ± 0.002°
• Cell volume: 1726.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No