Information card for entry 4087077

Structure parameters

• Formula: C76 H94 Ca I2 N10 O4.5
• Calculated formula: C76 H94 Ca I2 N10 O4.5
• Title of publication: Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand
• Authors of publication: Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 5
• Pages of publication: 994
• a: 20.3225 ± 0.0006 Å
• b: 15.7849 ± 0.0005 Å
• c: 24.0166 ± 0.0007 Å
• α: 90°
• β: 110.368 ± 0.001°
• γ: 90°
• Cell volume: 7222.6 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0671
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No