Information card for entry 7019551

Structure parameters

• Common name: [NBu4][CoI2(Mes_pic)]
• Chemical name: tetrabutlyammonium diiodo(6-mesityl-2-picolinate) Cobalt(II)
• Formula: C37 H56 Co I2 N2 O2
• Calculated formula: C37 H56 Co I2 N2 O2
• SMILES: I[Co]1(I)OC(=O)c2[n]1c(ccc2)c1c(cc(cc1C)C)C.[N+](CCCC)(CCCC)(CCCC)CCCC.c1ccccc1
• Title of publication: Coordination and structural properties of encumbering 6-mesityl-2-picolinate complexes.
• Authors of publication: Smith, Patrick W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8031 - 8038
• a: 9.7875 ± 0.0006 Å
• b: 11.8633 ± 0.0007 Å
• c: 18.2575 ± 0.001 Å
• α: 101.736 ± 0.001°
• β: 102.845 ± 0.001°
• γ: 103.308 ± 0.001°
• Cell volume: 1937.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No