Information card for entry 4129010

Structure parameters

• Formula: C60 H89 Co N2 O2 Si2
• Calculated formula: C60 H89 Co N2 O2 Si2
• SMILES: [Co]12345([O]=[N]1c1ccccc1C)([c]1([c]3([c]5([c]2([c]41C)C)C)C)C)C#[N]c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(C(C)C)cc(cc1C(C)C)C(C)C.[Si](O[Si](C)(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: 18.4221 ± 0.0006 Å
• b: 17.1331 ± 0.0004 Å
• c: 36.3469 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11472.1 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No