Information card for entry 7018140

Structure parameters

• Formula: C73 H78 Cl6 Cr2 N4 O
• Calculated formula: C73 H78 Cl6 Cr2 N4 O
• SMILES: C12c3ccccc3c3ccccc3C1=[N](c1c(cccc1C)C)[Cr]13([Cl][Cr]5([Cl]1)([Cl]3)(Cl)[N](=C1c3ccccc3c3ccccc3C1=[N]5c1c(cccc1C)C)c1c(cccc1C(C)C)C(C)C)([N]=2c1c(cccc1C(C)C)C(C)C)[O]1CCCC1.C(Cl)Cl
• 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: 25.162 ± 0.002 Å
• b: 15.303 ± 0.0014 Å
• c: 18.2914 ± 0.0018 Å
• α: 90°
• β: 110.053 ± 0.002°
• γ: 90°
• Cell volume: 6616.2 ± 1 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: 0.2086
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.2298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No