Information card for entry 4325472

Structure parameters

• Formula: C8 H9 F8 N4 Ni P
• Calculated formula: C8 H9 F8 N4 Ni P
• Title of publication: Structural, Electronic, and Magnetic Properties of Quasi-1D Quantum Magnets [Ni(HF2)(pyz)2]X (pyz = pyrazine; X = PF6-, SbF6-) Exhibiting Ni-FHF-Ni and Ni-pyz-Ni Spin Interactions
• Authors of publication: Jamie L. Manson; Saul H. Lapidus; Peter W. Stephens; Peter K. Peterson; Kimberly E. Carreiro; Heather I. Southerland; Tom Lancaster; Stephen J. Blundell; Andrew J. Steele; Paul A. Goddard; Francis L. Pratt; John Singleton; Yoshimitsu Kohama; Ross D. McDonald; Rico E. Del Sesto; Nickolaus A. Smith; Jesper Bendix; Sergei A. Zvyagin; Jinhee Kang; Changhoon Lee; Myung-Hwan Whangbo; Vivien S. Zapf; Alex Plonczak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5990 - 6009
• a: 9.9481 ± 0.0003 Å
• b: 9.9421 ± 0.0003 Å
• c: 12.5953 ± 0.0004 Å
• α: 90°
• β: 81.61 ± 0.003°
• γ: 90°
• Cell volume: 1232.41 ± 0.07 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Goodness-of-fit parameter for all reflections: 1.312
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.699389 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes