Information card for entry 4069407

Structure parameters

• Formula: C16 H32 I N3 Si
• Calculated formula: C16 H32 I N3 Si
• SMILES: [Si]1(I)(N(C(C)(C)C)C=CN1C(C)(C)C)C1N(CCCC1)C
• Title of publication: Silylene- and Germylene-Mediated C−H Activation: Reaction with Alkanes, Ethers, and Amines
• Authors of publication: Walker, Randon H.; Miller, Karla A.; Scott, Sara L.; Cygan, Zuzanna T.; Bartolin, Jeffrey M.; Kampf, Jeff W.; Banaszak Holl, Mark M.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2744
• a: 9.4165 ± 0.0004 Å
• b: 9.5587 ± 0.0004 Å
• c: 12.2601 ± 0.0005 Å
• α: 96.403 ± 0.001°
• β: 95.239 ± 0.001°
• γ: 118.01 ± 0.001°
• Cell volume: 955.12 ± 0.07 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No