Information card for entry 4063767

Structure parameters

• Formula: C37 H49 Cl4 Cr N2 O
• Calculated formula: C37 H49 Cl4 Cr N2 O
• SMILES: c12c3cccc1C=[N](c1c(cccc1C(C)C)C(C)C)[Cr]2(Cl)(Cl)([N](=C3)c1c(C(C)C)cccc1C(C)C)[O]1CCCC1.C(Cl)Cl
• 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: 9.3344 ± 0.0005 Å
• b: 13.1536 ± 0.0008 Å
• c: 16.593 ± 0.001 Å
• α: 101.304 ± 0.001°
• β: 102.059 ± 0.001°
• γ: 94.722 ± 0.001°
• Cell volume: 1937.5 ± 0.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0901
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No