Information card for entry 4329680

Structure parameters

• Formula: C20 H17 B Cl4 F6 N4 Ni
• Calculated formula: C20 H17 B Cl4 F6 N4 Ni
• SMILES: [Ni]([FH])(F)([n]1cc(Cl)ccc1)([n]1cc(Cl)ccc1)([n]1cccc(Cl)c1)[n]1cc(Cl)ccc1.[B](F)(F)(F)[F-]
• Title of publication: [Ni(HF2)(3-Clpy)4]BF4 (py = pyridine): Evidence for Spin Exchange Along Strongly Distorted F...H...F-Bridges in a One-Dimensional Polymeric Chain
• Authors of publication: Jamie L. Manson; Adora G. Baldwin; Brian L. Scott; Jesper Bendix; Rico E. Del Sesto; Paul A. Goddard; Yoshimitsu Kohama; Hope E. Tran; Saman Ghannadzadeh; John Singleton; Tom Lancaster; Johannes S. Möller; Stephen J. Blundell; Francis L. Pratt; Vivien S. Zapf; Jinhee Kang; Changhoon Lee; Myung-Hwan Whangbo; Christopher Baines
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7520 - 7528
• a: 16.411 ± 0.006 Å
• b: 12.449 ± 0.005 Å
• c: 12.291 ± 0.005 Å
• α: 90°
• β: 100.003 ± 0.004°
• γ: 90°
• Cell volume: 2472.9 ± 1.7 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 7
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.322
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No