Information card for entry 4328060

Structure parameters

• Formula: C31 H78 Mg2 N3 P3 Si3
• Calculated formula: C31 H78 Mg2 N3 P3 Si3
• SMILES: [Mg]([P](N1[Si](C)(C)C)(C(C)C)C(C)C)([P](N2[Si](C)(C)C)(C(C)C)C(C)C)([P](N([Si](C)(C)C)[Mg]12)(C(C)C)C(C)C)CCCC
• 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: 11.8848 ± 0.0005 Å
• b: 18.5826 ± 0.0009 Å
• c: 20.5032 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4528.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No