Information card for entry 7018137

Structure parameters

• Formula: C38 H49 Cl2 Cr N O4
• Calculated formula: C38 H49 Cl2 Cr N O4
• SMILES: c12c3ccccc3c3ccccc3c1N([Cr](Cl)(Cl)(O2)([O]1CCCC1)[O]1CCCC1)c1c(cccc1C(C)C)C(C)C.C1CCOC1
• Title of publication: Chromium complexes supported by phenanthrene-imine derivative ligands: synthesis, characterization and catalysis on isoprene cis-1,4 polymerization.
• Authors of publication: Gao, Bo; Luo, Xuyang; Gao, Wei; Huang, Long; Gao, Si-Meng; Liu, Xiaoming; Wu, Qiaolin; Mu, Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2755 - 2763
• a: 20.3272 ± 0.0015 Å
• b: 15.4329 ± 0.0011 Å
• c: 11.7029 ± 0.0009 Å
• α: 90°
• β: 104.264 ± 0.001°
• γ: 90°
• Cell volume: 3558.1 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0961
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.2097
• Weighted residual factors for all reflections included in the refinement: 0.2349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No