Information card for entry 4072676

Structure parameters

• Common name: (2-Me)C6H4CH2Co(dmgH)2Py
• Chemical name: trans-bis(dimethylglyoximato)-ortho-methyl-benzyl-(pyridine)-cobalt(III)
• Formula: C21 H28 Co N5 O4
• Calculated formula: C21 H28 Co N5 O4
• SMILES: [Co]12([N](O)=C(C(=N1=O)C)C)([N](O)=C(C(=N2=O)C)C)([n]1ccccc1)Cc1ccccc1C
• Title of publication: Hindered Rotation Leading to Nonequivalence in 2-Substituted Benzyl Cobaloximes: Structure−Property Relationship†
• Authors of publication: Mandal, Debaprasad; Gupta, B. D.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 658
• a: 8.147 ± 0.005 Å
• b: 10.658 ± 0.005 Å
• c: 13.759 ± 0.005 Å
• α: 77.278 ± 0.005°
• β: 76.152 ± 0.005°
• γ: 70.892 ± 0.005°
• Cell volume: 1082.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1033
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No