Information card for entry 7049476

Structure parameters

• Formula: C42 H78 Mg N4 O2
• Calculated formula: C42 H78 Mg N4 O2
• 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: 10.5 ± 0.0006 Å
• b: 12.296 ± 0.001 Å
• c: 16.767 ± 0.0009 Å
• α: 84.125 ± 0.006°
• β: 80.152 ± 0.004°
• γ: 75.609 ± 0.006°
• Cell volume: 2061.9 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No