Information card for entry 4129003

Structure parameters

• Formula: C47 H64 Co N3
• Calculated formula: C47 H64 Co N3
• SMILES: [Co]1234([N]#N)(C#[N]c5c(c6c(cc(cc6C(C)C)C(C)C)C(C)C)cccc5c5c(cc(C(C)C)cc5C(C)C)C(C)C)[c]5([c]1([c]3([c]4([c]25C)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: 17.4002 ± 0.0004 Å
• b: 20.7307 ± 0.0005 Å
• c: 23.4789 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8469.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0878
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No