Information card for entry 4087745

Structure parameters

• Formula: C32 H45 B2 F8 N3 Ni O P2
• Calculated formula: C32 H45 B2 F8 N3 Ni O P2
• SMILES: [Ni]12([P](c3c(C4=CN(C=C(C24)c2c([P]1(C(C)C)C(C)C)cccc2)C)cccc3)(C(C)C)C(C)C)N=O.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC
• Title of publication: Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands
• Authors of publication: Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 4753
• a: 11.4094 ± 0.0004 Å
• b: 11.4298 ± 0.0004 Å
• c: 30.323 ± 0.0012 Å
• α: 92.462 ± 0.001°
• β: 100.545 ± 0.002°
• γ: 107.826 ± 0.002°
• Cell volume: 3680.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.11 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No