Information card for entry 7033447

Structure parameters

• Formula: C10 H12 Cu1.5 N5 O9
• Calculated formula: C10 H10 Cu1.5 N5 O9
• Title of publication: Four linear Cu(II)3 subunit-based coordination polymers with various inter-subunit connections, spin ground-states and intra-/inter-subunit magnetic couplings.
• Authors of publication: Yang, En-Cui; Liu, Zhong-Yi; Chen, Si-Hang; Su, Yan-Hong; Zhang, Yan-Yan; Zhao, Xiao-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3190 - 3199
• a: 7.5559 ± 0.0005 Å
• b: 9.5691 ± 0.0007 Å
• c: 10.5354 ± 0.0007 Å
• α: 102.758 ± 0.001°
• β: 97.538 ± 0.001°
• γ: 93.123 ± 0.001°
• Cell volume: 733.77 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No