Information card for entry 4088732

Structure parameters

• Formula: C54 H62 Ca N4 O2
• Calculated formula: C54 H62 Ca N4 O2
• Title of publication: Homoleptic Chiral Benzamidinate Complexes of the Heavier Alkaline Earth Metals and the Divalent Lanthanides
• Authors of publication: He, Meng; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 16
• Pages of publication: 2638
• a: 10.7528 ± 0.0003 Å
• b: 10.7528 ± 0.0003 Å
• c: 42.2319 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4883 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No