Information card for entry 7019553

Structure parameters

• Common name: V(Mes_pic)3
• Chemical name: tris-(6-mesityl-2-picolinate) vanadium(III)
• Formula: C49 H50 N3 O7 V
• Calculated formula: C49 H50 N3 O7 V
• SMILES: [V]123(OC(=O)c4[n]2c(ccc4)c2c(cc(cc2C)C)C)(OC(=O)c2[n]3c(ccc2)c2c(cc(cc2C)C)C)[O]=C(O1)c1nc(ccc1)c1c(cc(cc1C)C)C.O1CCCC1
• 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: 11.7453 ± 0.0016 Å
• b: 12.1951 ± 0.0015 Å
• c: 29.336 ± 0.004 Å
• α: 90°
• β: 96.98 ± 0.007°
• γ: 90°
• Cell volume: 4170.8 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1537
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No