Information card for entry 7119281

Structure parameters

• Formula: C46 H48 N4 O3 S2
• Calculated formula: C46 H48 N4 O3 S2
• Title of publication: Bis(amidinate) ligands in early lanthanide chemistry - synthesis, structures, and hydroamination catalysis.
• Authors of publication: Kazeminejad, Neda; Munzel, Denise; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 1060 - 1063
• a: 9.7749 ± 0.0004 Å
• b: 10.2099 ± 0.0004 Å
• c: 21.6219 ± 0.001 Å
• α: 78.582 ± 0.004°
• β: 80.858 ± 0.004°
• γ: 89.827 ± 0.004°
• Cell volume: 2087.41 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0747
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No