Information card for entry 4115158

Structure parameters

• Formula: C17 H27 Mg N
• Calculated formula: C17 H27 Mg N
• SMILES: [Mg]12345678([NH2]C(C(C)C)C(C)C)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]8[cH]5[cH]6[cH]71
• Title of publication: Intramolecular and Intermolecular N-H...C5H5-Hydrogen Bonding in Magnesocene Adducts of Alkylamines. Implications for Chemical Vapor Deposition Using Cyclopentadienyl Source Compounds
• Authors of publication: Aibing Xia; Mary Jane Heeg; Charles H. Winter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 11264 - 11265
• a: 17.736 ± 0.014 Å
• b: 9.716 ± 0.005 Å
• c: 19.601 ± 0.013 Å
• α: 90°
• β: 93.014 ± 0.019°
• γ: 90°
• Cell volume: 3373 ± 4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1864
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No