Information card for entry 1513010

Structure parameters

• Formula: C39 H40 Cl2 N O4 V
• Calculated formula: C35 H32 Cl2 N O3 V
• SMILES: [V]12(Cl)(Cl)([OH]C(c3ccccc3)(c3[n]2c(C(O1)(c1ccccc1)c1ccccc1)ccc3)c1ccccc1)[O]1CCCC1
• Title of publication: Coordination compounds of chromium (+3) and vanadium (+3) and (+5) with 2,6-bis(diphenylhydroxymethyl)pyridyl ligand: Synthesis and study of catalytic activity in the polymerization of ethylene
• Authors of publication: Dmitry A. Kurmaev; Nicolai A. Kolosov; Svetlana Ch. Gagieva; Alexandra O. Borissova; Vladislav A. Tuskaev; Natalya M. Bravaya; Boris M. Bulychev
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 396
• Pages of publication: 136 - 143
• a: 15.05 ± 0.002 Å
• b: 21.834 ± 0.003 Å
• c: 22.09 ± 0.003 Å
• α: 83.905 ± 0.003°
• β: 70.256 ± 0.003°
• γ: 89.896 ± 0.003°
• Cell volume: 6789 ± 1.6 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: 0.2483
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No