Information card for entry 4071941

Structure parameters

• Formula: C62 H44 F8 Ni P4
• Calculated formula: C62 H44 F8 Ni P4
• SMILES: [Ni]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(c1c(P(c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F)c1c(P(c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F
• 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: 12.6153 ± 0.0003 Å
• b: 12.735 ± 0.0002 Å
• c: 17.2316 ± 0.0004 Å
• α: 81.818 ± 0.001°
• β: 79.226 ± 0.001°
• γ: 75.125 ± 0.001°
• Cell volume: 2615.42 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No