Information card for entry 4070268

Structure parameters

• Formula: C50 H79 B Cl Cr N2 O P2 Si
• Calculated formula: C50 H79 B Cl Cr N2 O P2 Si
• SMILES: [Cr]123(N(C(C)(C)C)[Si]([N]3(CC[P]1(C(C)C)C(C)C)CC[P]2(C(C)C)C(C)C)(C)C)Cl.c1c(cccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCO1
• Title of publication: Chromium Complexes Supported by the Multidentate Monoanionic N2P2Ligand: Reduction Chemistry and Reactivity with Ethylene
• Authors of publication: Rozenel, Sergio S.; Chomitz, Wayne A.; Arnold, John
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6243
• a: 13.935 ± 0.017 Å
• b: 35.24 ± 0.04 Å
• c: 10.647 ± 0.013 Å
• α: 90°
• β: 97.804 ± 0.015°
• γ: 90°
• Cell volume: 5180 ± 11 ų
• Cell temperature: 121 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• 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: 0.1275
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No