Information card for entry 7018136

Structure parameters

• Formula: C30 H33 Cl2 Cr N O3
• Calculated formula: C30 H33 Cl2 Cr N O3
• SMILES: C12c3ccccc3c3ccccc3C1=[O][Cr](Cl)(Cl)([N]=2c1c(cccc1C)C)([O]1CCCC1)[O]1CCCC1
• 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: 10.1315 ± 0.0007 Å
• b: 10.2073 ± 0.0008 Å
• c: 13.7621 ± 0.001 Å
• α: 72.788 ± 0.001°
• β: 80.112 ± 0.001°
• γ: 87.226 ± 0.001°
• Cell volume: 1339.28 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No