Information card for entry 4062296

Structure parameters

• Formula: C16 H23 Mg N
• Calculated formula: C16 H23 Mg N
• SMILES: [Mg]12345678([NH2]C9CCCCC9)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Synthesis, Structure, and Properties of Magnesocene Amine Adducts. Structural Distortions Arising from N-H···C~5~H~5~^-^ Hydrogen Bonding and Molecular Orbital Calculations Thereof
• Authors of publication: Xia, Aibing; Knox, John E.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 20
• Pages of publication: 4060 - 4069
• a: 10.6243 ± 0.0009 Å
• b: 19.9057 ± 0.0018 Å
• c: 14.3919 ± 0.0013 Å
• α: 90°
• β: 90.972 ± 0.002°
• γ: 90°
• Cell volume: 3043.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No