Information card for entry 7133690

Structure parameters

• Formula: C100 H138 Ba2 N4
• Calculated formula: C100 H138 Ba2 N4
• Title of publication: A series of neutral alkaline earth metal hydride complexes supported by a bulky, unsymmetrical β-diketiminate ligand, [{(^Dip/TCHPNacnac)M(μ-H)}₂] (M = Mg, Ca, Sr or Ba).
• Authors of publication: Kennedy, Dominic B.; Evans, Matthew J.; Jones, Dafydd D. L.; Parr, Joseph M.; Hill, Michael S.; Jones, Cameron
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 78
• Pages of publication: 10894 - 10897
• a: 12.44 ± 0.003 Å
• b: 14.61 ± 0.003 Å
• c: 14.74 ± 0.003 Å
• α: 105.02 ± 0.03°
• β: 113.64 ± 0.03°
• γ: 102.69 ± 0.03°
• Cell volume: 2206.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No