Information card for entry 7706285

Structure parameters

• Formula: C51 H25.5 B2 F30.5 Fe O4 P2
• Calculated formula: C51 H25.5 B2 F30.5 Fe O4 P2
• Title of publication: Zero valent iron complexes as base partners in frustrated Lewis pair chemistry.
• Authors of publication: Tinnermann, Hendrik; Fraser, Craig; Young, Rowan D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15184 - 15189
• a: 12.4374 ± 0.0009 Å
• b: 14.0427 ± 0.0009 Å
• c: 15.3107 ± 0.001 Å
• α: 84.826 ± 0.002°
• β: 83.992 ± 0.003°
• γ: 80.351 ± 0.003°
• Cell volume: 2614.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.92 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: 0.0769
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No