Information card for entry 4089289

Structure parameters

• Formula: C30 H27 Co N2 O5
• Calculated formula: C30 H27 Co N2 O5
• SMILES: [Co]123(Oc4ccccc4C=[N]1c1ccccc1[N]2=Cc1ccccc1O3)(C(=O)OC(c1ccccc1)C)[OH]C
• Title of publication: Synthesis and Characterization of Alkoxycarbonyl Cobalt Complexes via Direct Carbonylation Methods
• Authors of publication: Chambers, Dana R.; Sullivan, Raymond E.; Martin, David B. C.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1630
• a: 12.7197 ± 0.0008 Å
• b: 11.1312 ± 0.0007 Å
• c: 17.5704 ± 0.0011 Å
• α: 90°
• β: 91.5084 ± 0.0009°
• γ: 90°
• Cell volume: 2486.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0505
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No