Information card for entry 7031065

Structure parameters

• Formula: C56 H76 Fe N3 O0.5 P2 Si2
• Calculated formula: C56 H76 Fe N3 O0.5 P2 Si2
• Title of publication: Reduction of an Fe(i) mesityl complex induced by π-acid ligands.
• Authors of publication: Lin, Ya-Fan; Nakajima, Yumiko; Ozawa, Fumiyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9032 - 9037
• a: 10.497 ± 0.007 Å
• b: 15.346 ± 0.01 Å
• c: 19.86 ± 0.014 Å
• α: 112.44 ± 0.02°
• β: 103.21 ± 0.03°
• γ: 92.15 ± 0.04°
• Cell volume: 2851 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1788
• Residual factor for significantly intense reflections: 0.1236
• Weighted residual factors for significantly intense reflections: 0.2779
• Weighted residual factors for all reflections included in the refinement: 0.3221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.373
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No