Information card for entry 7040851

Structure parameters

• Formula: C43 H84 Br Fe N O2 P2
• Calculated formula: C43 H84 Br0.99 Fe N O2 P2
• Title of publication: Synthesis, reactivity, structures, and dynamic properties of gyroscope like iron complexes with dibridgehead diphosphine cages: pre- vs. post-metathesis substitutions as routes to adducts with neutral dipolar Fe(CO)(NO)(X) rotors.
• Authors of publication: Lang, Georgette M.; Skaper, Dirk; Hampel, Frank; Gladysz, John A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 41
• Pages of publication: 16190 - 16204
• a: 21.219 ± 0.0008 Å
• b: 13.966 ± 0.0008 Å
• c: 18.1727 ± 0.0002 Å
• α: 90°
• β: 121.002 ± 0.004°
• γ: 90°
• Cell volume: 4616.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0857
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No