Information card for entry 7128386

Structure parameters

• Formula: C204 H316 B4 Ca2.52 N16 O7 Sr1.49
• Calculated formula: C204 H316 B4 Ca2.514 N16 O7 Sr1.486
• Title of publication: Cationic strontium hydride complexes supported by an NNNN-type macrocycle.
• Authors of publication: Höllerhage, Thomas; Carpentier, Ambre; Spaniol, Thomas P.; Maron, Laurent; Englert, Ulli; Okuda, Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 51
• Pages of publication: 6316 - 6319
• a: 22.3924 ± 0.0003 Å
• b: 12.75071 ± 0.00015 Å
• c: 35.5684 ± 0.0004 Å
• α: 90°
• β: 101.73 ± 0.0009°
• γ: 90°
• Cell volume: 9943.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No