Information card for entry 4079317

Structure parameters

• Formula: C51 H64 Cl2 Cr N O5 P2
• Calculated formula: C51 H64 Cl2 Cr N O5 P2
• SMILES: [Cr]1(Cl)(Cl)([P](C=P(/C(=N/c2c(cc(cc2C)C)C)O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity
• Authors of publication: Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6438
• a: 12.174 ± 0.003 Å
• b: 12.264 ± 0.003 Å
• c: 18.999 ± 0.005 Å
• α: 101.532 ± 0.004°
• β: 101.101 ± 0.004°
• γ: 110.256 ± 0.004°
• Cell volume: 2499.5 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1736
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No