Information card for entry 4514414

Structure parameters

• Formula: C15 H27 Br2 Co N3
• Calculated formula: C15 H27 Br2 Co N3
• SMILES: Br[Co]12(Br)[n]3c(cccc3C[NH]1C(C)(C)C)C[NH]2C(C)(C)C
• Title of publication: Cobalt-Catalyzed Selective Synthesis of Disiloxanes and Hydrodisiloxanes
• Authors of publication: Pattanaik, Sandip; Gunanathan, Chidambaram
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 5552
• a: 10.8842 ± 0.0004 Å
• b: 11.4192 ± 0.0004 Å
• c: 15.8101 ± 0.0006 Å
• α: 90°
• β: 104.557 ± 0.003°
• γ: 90°
• Cell volume: 1901.94 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1085
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No