Information card for entry 7049475

Structure parameters

• Formula: C47 H65 Cl2 Mg2 N4 O3
• Calculated formula: C47 H65 Cl2 Mg2 N4 O3
• Title of publication: The addition of Grignard reagents to carbodiimides. The synthesis, structure and potential utilization of magnesium amidinates.
• Authors of publication: Chlupatý, Tomáš; Bílek, Michal; Merna, Jan; Brus, Jiří; RůŽičková, Zdeňka; Strassner, Thomas; RůŽička, Aleš
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 16
• Pages of publication: 5335 - 5342
• a: 15.23 ± 0.0014 Å
• b: 16.8731 ± 0.0008 Å
• c: 22.925 ± 0.0014 Å
• α: 90°
• β: 129.661 ± 0.007°
• γ: 90°
• Cell volume: 4535.3 ± 0.7 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.1109
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No