Information card for entry 1516277

Structure parameters

• Formula: C116 H134 Cl4 Fe2 O4 P4
• Calculated formula: C116 H134 Cl4 Fe2 O4 P4
• Title of publication: Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals
• Authors of publication: Heinl, Sebastian; Scheer, Manfred
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 3221
• a: 16.5044 ± 0.0002 Å
• b: 23.0305 ± 0.0002 Å
• c: 28.6494 ± 0.0003 Å
• α: 90°
• β: 104.041 ± 0.001°
• γ: 90°
• Cell volume: 10564.4 ± 0.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No