Information card for entry 4332731

Structure parameters

• Formula: C8 H8 Cl Cu N5 O6
• Calculated formula: C8 H8 Cl Cu N5 O6
• Title of publication: NaCl-Type Frameworks of [M(pyrazine)2NO2]ClO4(M = Co, Cu), the First Examples Containing μ1,3-Nitrito Bridges Showing Antiferromagnetism
• Authors of publication: Liu, Tao; Chen, Yi-Hong; Zhang, Yan-Juan; Wang, Zhe-Ming; Gao, Song
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9148 - 9150
• a: 9.7253 ± 0.0002 Å
• b: 9.7253 ± 0.0002 Å
• c: 6.6458 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 628.57 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 125
• Hermann-Mauguin space group symbol: P 4/n b m :2
• Hall space group symbol: -P 4a 2b
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No