Information card for entry 7701926

Structure parameters

• Formula: C54 H76 Ca N2 O6
• Calculated formula: C54 H76 Ca N2 O6
• Title of publication: Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.
• Authors of publication: Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 12570 - 12581
• a: 11.8448 ± 0.0004 Å
• b: 14.0854 ± 0.0004 Å
• c: 17.5399 ± 0.0006 Å
• α: 75.887 ± 0.001°
• β: 89.098 ± 0.002°
• γ: 65.17 ± 0.001°
• Cell volume: 2563.14 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0591
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No