Information card for entry 1513011

Structure parameters

• Formula: C31 H23 Cl N O3 V
• Calculated formula: C31 H23 Cl N O3 V
• SMILES: O=[V]12(Cl)OC(c3[n]2c(C(O1)(c1ccccc1)c1ccccc1)ccc3)(c1ccccc1)c1ccccc1
• 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: 10.5834 ± 0.001 Å
• b: 15.1756 ± 0.001 Å
• c: 16.0379 ± 0.0012 Å
• α: 90°
• β: 102.386 ± 0.002°
• γ: 90°
• Cell volume: 2515.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No