Information card for entry 7019260

Structure parameters

• Formula: C8 H9 F8 N4 Ni P
• Calculated formula: C8 H9 F8 N4 Ni P
• Title of publication: Influence of HF(2)(-) geometry on magnetic interactions elucidated from polymorphs of the metal-organic framework [Ni(HF(2))(pyz)(2)]PF(6) (pyz = pyrazine).
• Authors of publication: Manson, Jamie L.; Carreiro, Kimberly E.; Lapidus, Saul H.; Stephens, Peter W.; Goddard, Paul A.; Del Sesto, Rico E.; Bendix, Jesper; Ghannadzadeh, Saman; Franke, Isabel; Singleton, John; Lancaster, Tom; Möller, Johannes S; Baker, Peter J.; Pratt, Francis L.; Blundell, Stephen J.; Kang, Jinhee; Lee, Changhoon; Whangbo, Myung-Hwan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7235 - 7243
• a: 9.9197 ± 0.0003 Å
• b: 9.9197 ± 0.0003 Å
• c: 6.3434 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 624.19 ± 0.03 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :1
• Hall space group symbol: P 4ab 2ab -1ab
• Goodness-of-fit parameter for all reflections: 2.232
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.699455 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No