Information card for entry 4071305

Structure parameters

• Formula: C58 H83 Cl N2 O3 V
• Calculated formula: C54 H76 Cl N2 O2 V
• SMILES: [N]1([V]2(Oc3c(cc(cc3C(C)(C)C)C(C)(C)C)C=1)(Cl)[N](=Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis, Structural Characterization, and Ethylene Polymerization Behavior of the Vanadium(III) Complexes Bearing Salicylaldiminato Ligands
• Authors of publication: Wu, Ji-Qian; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3840
• a: 17.673 ± 0.003 Å
• b: 27.429 ± 0.005 Å
• c: 11.828 ± 0.0019 Å
• α: 90°
• β: 93.019 ± 0.004°
• γ: 90°
• Cell volume: 5725.7 ± 1.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2364
• Residual factor for significantly intense reflections: 0.1185
• Weighted residual factors for significantly intense reflections: 0.3157
• Weighted residual factors for all reflections included in the refinement: 0.3802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No