Information card for entry 1513009

Structure parameters

• Formula: C135 H110 Cr2 N4 O9
• Calculated formula: C65.5 H51 Cr N2 O4
• SMILES: [Cr]1234(OC(c5[n]3c(ccc5)C(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)OC(c1[n]4c(ccc1)C([OH]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccccc1
• 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: 12.7934 ± 0.0005 Å
• b: 12.8886 ± 0.0005 Å
• c: 16.6146 ± 0.0007 Å
• α: 103.038 ± 0.001°
• β: 98.875 ± 0.001°
• γ: 96.789 ± 0.001°
• Cell volume: 2603.45 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No