Information card for entry 7133686

Structure parameters

• Formula: C100 H138 Ca2 N4 O0.4
• Calculated formula: C100 H138 Ca2 N4 O0.4
• 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: 12.568 ± 0.0002 Å
• b: 14.4876 ± 0.0002 Å
• c: 14.5826 ± 0.0002 Å
• α: 106.354 ± 0.001°
• β: 102.174 ± 0.001°
• γ: 113.558 ± 0.002°
• Cell volume: 2171.82 ± 0.08 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 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: 0.0441
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No