Information card for entry 4082868

Structure parameters

• Formula: C52.25 H48.5 Cl0.5 Fe N O3 Si2
• Calculated formula: C52.25 H41 Cl0.5 Fe N O3 Si2
• Title of publication: Synthesis of Fe‒H/Si‒H and Fe‒H/Ge‒H Bifunctional Complexes and Their Catalytic Hydrogenation Reactions toward Nonpolar Unsaturated Organic Molecules
• Authors of publication: Kamitani, Masahiro; Nishiguchi, Yoshinori; Tada, Ryosuke; Itazaki, Masumi; Nakazawa, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1532
• a: 13.7402 ± 0.0005 Å
• b: 18.281 ± 0.0001 Å
• c: 19.4265 ± 0.0005 Å
• α: 73.409 ± 0.005°
• β: 90.112 ± 0.008°
• γ: 78.748 ± 0.006°
• Cell volume: 4578 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1101
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No