Information card for entry 7124269

Structure parameters

• Formula: C86 H113 Ca2 N4 Sn
• Calculated formula: C86 H113 Ca2 N4 Sn
• Title of publication: Calcium Stannyl Formation by Organostannane Dehydrogenation
• Authors of publication: Hill, Michael; Morris, Louis; McMullin, Claire L.; Mahon, Mary F.; Rajabi, Nasir A.; Manners, Ian
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 23.4972 ± 0.0002 Å
• b: 15.1546 ± 0.0001 Å
• c: 24.4653 ± 0.0002 Å
• α: 90°
• β: 114.523 ± 0.001°
• γ: 90°
• Cell volume: 7926.01 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No