Information card for entry 4129007

Structure parameters

• Formula: C65 H79 Co N P
• Calculated formula: C65 H79 Co N P
• SMILES: [Co]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([c]5([c]2([c]4([c]3([c]15C)C)C)C)C)C#[N]c1c(c2c(cc(cc2C(C)C)C(C)C)C(C)C)cccc1c1c(C(C)C)cc(cc1C(C)C)C(C)C
• Title of publication: Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.
• Authors of publication: Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 38
• Pages of publication: 15003 - 15007
• a: 13.5984 ± 0.0011 Å
• b: 17.629 ± 0.0012 Å
• c: 23.0085 ± 0.0018 Å
• α: 90°
• β: 90.367 ± 0.005°
• γ: 90°
• Cell volume: 5515.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1271
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No