Information card for entry 4071940

Structure parameters

• Formula: C36 H20 F8 Ni P2
• Calculated formula: C36 H20 F8 Ni P2
• SMILES: [Ni]12([P](c3c1c(F)c(F)c(F)c3F)(c1ccccc1)c1ccccc1)[P](c1c2c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1
• 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: 12.471 ± 0.0003 Å
• b: 12.3859 ± 0.0003 Å
• c: 20.0281 ± 0.0004 Å
• α: 90°
• β: 97.9282 ± 0.0013°
• γ: 90°
• Cell volume: 3064.06 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No