Information card for entry 4063762

Structure parameters

• Formula: C54 H60 Cl4 Cr3 N4
• Calculated formula: C54 H60 Cl4 Cr3 N4
• SMILES: c12c3cccc1C=[N](c1c(cccc1C)C)[Cr]12([N](=C3)c2c(cccc2C)C)[Cl][Cr]2([Cl]1)[Cl][Cr]13(c4c(cccc4C=[N]3c3c(cccc3C)C)C=[N]1c1c(cccc1C)C)[Cl]2.CCCCCC
• Title of publication: Pincer Chromium(II) and Chromium(III) Complexes Supported by Bis(imino)aryl NCN ligands: Synthesis and Catalysis on Isoprene Polymerization
• Authors of publication: Liu, Zhizhou; Gao, Wei; Liu, Xiaoming; Luo, Xuyang; Cui, Dongmei; Mu, Ying
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 752
• a: 25.3449 ± 0.0017 Å
• b: 12.1107 ± 0.0008 Å
• c: 19.9733 ± 0.0014 Å
• α: 90°
• β: 121.802 ± 0.001°
• γ: 90°
• Cell volume: 5210.3 ± 0.6 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No