Information card for entry 4071944

Structure parameters

• Formula: C37 H21.144 F8 O3.572 P2
• Calculated formula: C37 H20 F8 O3.572 P2
• Title of publication: A Triad of Bis(orthometalated) d8-Complexes Containing Four-Membered Rings
• Authors of publication: Bennett, Martin A.; Bhargava, Suresh K.; Keniry, Max A.; Privér, Steven H.; Simmonds, Peta M.; Wagler, Jörg; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5361
• a: 9.6431 ± 0.0001 Å
• b: 12.5819 ± 0.0001 Å
• c: 26.2617 ± 0.0003 Å
• α: 90°
• β: 98.1043 ± 0.0006°
• γ: 90°
• Cell volume: 3154.47 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.1054
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No