Information card for entry 4307652

Structure parameters

• Chemical name: Bis(pyrazine)nitratocopper(II) hexafluorophosphate
• Formula: C8 H8 Cl0.25 Cu F6 N5 O3 P
• Calculated formula: C8 H8 Cu F5.968 N4.99 O2.984 P
• Title of publication: Two-Dimensional Heisenberg Antiferromagnets: Syntheses, X-ray Structures, and Magnetic Behavior of [Cu(pz)2](ClO4)2, [Cu(pz)2](BF4)2, and [Cu(pz)2(NO3)](PF6)
• Authors of publication: F. Matthew Woodward; Pamela J. Gibson; Geoffrey B. Jameson; Christopher P. Landee; Mark M. Turnbull; Roger D. Willett
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4256 - 4266
• a: 9.7093 ± 0.0011 Å
• b: 9.7093 ± 0.0011 Å
• c: 14.005 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1320.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.1134
• Weighted residual factors for significantly intense reflections: 0.1089
• Goodness-of-fit parameter for all reflections: 1.153
• Goodness-of-fit parameter for significantly intense reflections: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No