Information card for entry 4328059

Structure parameters

• Formula: C22 H54 Mg N2 O P2 Si2
• Calculated formula: C22 H54 Mg N2 O P2 Si2
• SMILES: [P]1([Mg]2([P](N2[Si](C)(C)C)(C(C)C)C(C)C)([O]2CCCC2)N1[Si](C)(C)C)(C(C)C)C(C)C
• Title of publication: Formation of Phosphino-Substituted Isocyanate by Reaction of CO2 with Group 2 Complexes Based on the (Me3Si)(i-Pr2P)NH Ligand
• Authors of publication: Diane A. Dickie; Kevin B. Gislason; Richard A. Kemp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1162 - 1169
• a: 12.6163 ± 0.0006 Å
• b: 21.4649 ± 0.0011 Å
• c: 15.134 ± 0.0005 Å
• α: 90°
• β: 126.854 ± 0.003°
• γ: 90°
• Cell volume: 3279.4 ± 0.3 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 7
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No