Information card for entry 4101755

Structure parameters

• Formula: C103 H178 B2 Fe2 O2 P6
• Calculated formula: C103 H178 B2 Fe2 O2 P6
• SMILES: [Fe]1234([Fe]56([P](C[B](c7ccccc7)(C[P]5(CC5CCCCC5)CC5CCCCC5)C[P]6(CC5CCCCC5)CC5CCCCC5)(CC5CCCCC5)CC5CCCCC5)(O3)C4=O)[P](C[B](c3ccccc3)(C[P]1(CC1CCCCC1)CC1CCCCC1)C[P]2(CC1CCCCC1)CC1CCCCC1)(CC1CCCCC1)CC1CCCCC1
• Title of publication: Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core.
• Authors of publication: Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Journal issue: 1
• Pages of publication: 4 - 5
• a: 16.834 ± 0.008 Å
• b: 25.105 ± 0.011 Å
• c: 28.444 ± 0.013 Å
• α: 73.111 ± 0.011°
• β: 78.703 ± 0.015°
• γ: 84.399 ± 0.012°
• Cell volume: 11269 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3696
• Residual factor for significantly intense reflections: 0.1564
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.481
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No