Information card for entry 4330283

Structure parameters

• Common name: jg01c
• Chemical name: jg01c
• Formula: C123.61 H159.83 Br8 Fe4 N12 O5.31
• Calculated formula: C123.616 H159.848 Br8 Fe4 N12 O5.308
• Title of publication: Ligand-Based Reduction of CO2and Release of CO on Iron(II)
• Authors of publication: Zachary Thammavongsy; Takele Seda; Lev N. Zakharov; Werner Kaminsky; John D. Gilbertson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9168 - 9170
• a: 59.446 ± 0.004 Å
• b: 8.5306 ± 0.0006 Å
• c: 26.227 ± 0.002 Å
• α: 90°
• β: 102.078 ± 0.004°
• γ: 90°
• Cell volume: 13005.6 ± 1.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.132
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No