Information card for entry 7015480

Structure parameters

• Formula: C38 H50 Cl N4 O V
• Calculated formula: C38 H50 Cl N4 O V
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1[V]2([O]3CCCC3)(Cl)(n3cccc3C=1)n1cccc1C=[N]2c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis of vanadium(III) complexes bearing iminopyrrolyl ligands and their role as thermal robust ethylene (co)polymerization catalysts.
• Authors of publication: Mu, Jing-Shan; Wang, Yong-Xia; Li, Bai-Xiang; Li, Yue-Sheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3490 - 3497
• a: 11.019 ± 0.0009 Å
• b: 14.89 ± 0.0012 Å
• c: 22.0694 ± 0.0018 Å
• α: 90°
• β: 102.55 ± 0.001°
• γ: 90°
• Cell volume: 3534.5 ± 0.5 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0594
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No