Information card for entry 1513008

Structure parameters

• Formula: C39 H41 Cl3 Cr N O4
• Calculated formula: C39 H41 Cl3 Cr N O4
• SMILES: [Cr]12(Cl)(Cl)(Cl)[OH]C(c3[n]2c(ccc3)C([OH]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
• 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: 13.172 ± 0.002 Å
• b: 17.525 ± 0.004 Å
• c: 16.41 ± 0.003 Å
• α: 90°
• β: 111.64 ± 0.005°
• γ: 90°
• Cell volume: 3521.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2061
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.703
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No