Information card for entry 7023047

Structure parameters

• Chemical name: Poly[[(mu-pyrazine)copper(I)] perchlorate heptahydrate]
• Formula: C8 H22 Cl Cu N4 O11
• Calculated formula: C8 H8 Cu N4
• Title of publication: Cu(I), Co(II) and Fe(II) coordination polymers with pyrazine and benzoate as ligands. Spin crossover, spin canting and metamagnetism phenomena.
• Authors of publication: Amo-Ochoa, Pilar; Castillo, Oscar; Zamora, Félix
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13453 - 13460
• a: 10.8055 ± 0.0015 Å
• b: 10.8055 ± 0.0015 Å
• c: 12.637 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1277.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 151
• Hermann-Mauguin space group symbol: P 31 1 2
• Hall space group symbol: P 31 2 (0 0 4)
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.778
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No