Information card for entry 7114554

Structure parameters

• Formula: C16 H39 Fe N O2 P4 S
• Calculated formula: C16 H39 Fe N O2 P4 S
• Title of publication: Functionalisation of carbon dioxide by an iron(ii) complexElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b1/b108492e/
• Authors of publication: Field, Leslie D.; Shaw, Warren J.; Turner, Peter
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 1
• Pages of publication: 46
• a: 9.973 ± 0.005 Å
• b: 14.68 ± 0.008 Å
• c: 8.748 ± 0.005 Å
• α: 104.586 ± 0.008°
• β: 99.791 ± 0.008°
• γ: 81.837 ± 0.008°
• Cell volume: 1214.8 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No