Information card for entry 4073075

Structure parameters

• Common name: 4CN-PhCH2(O2)Co(dmestgH)2Py
• Formula: C63 H69 Co N8 O6
• Calculated formula: C63 H69 Co N8 O6
• SMILES: [Co]12(OOCc3ccc(cc3)C#N)([N](O)=C(C(=N1=O)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([N](O)=C(C(=N2=O)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[n]1ccccc1.N#CC.N#CC.c1ccccc1
• Title of publication: Co−C Bond Homolysis: Reactivity Difference between Alkyl- and Benzylcobaloximes
• Authors of publication: Mandal, Debaprasad; Bhuyan, Mouchumi; Laskar, Moitree; Gupta, B. D.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 2795
• a: 14.217 ± 0.0011 Å
• b: 14.3381 ± 0.0011 Å
• c: 16.6229 ± 0.0013 Å
• α: 112.352 ± 0.001°
• β: 95.69 ± 0.001°
• γ: 111.594 ± 0.001°
• Cell volume: 2799 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1041
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No