Information card for entry 7004317

Structure parameters

• Formula: C20 H42 Cu3 N8 O32 P8
• Calculated formula: C20 H42 Cu3 N8 O32 P8
• Title of publication: Copper diphosphonates with zero-, one- and two-dimensional structures: ferrimagnetism in layer compound Cu3(ImhedpH)2·2H2O [ImhedpH4 = (1-C3H3N2)CH2C(OH)(PO3H2)2]
• Authors of publication: Cao, Deng-Ke; Xie, Xiao-Ji; Li, Yi-Zhi; Zheng, Li-Min
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 5008 - 5015
• a: 10.2187 ± 0.0019 Å
• b: 11.367 ± 0.002 Å
• c: 18.353 ± 0.004 Å
• α: 90°
• β: 96.156 ± 0.004°
• γ: 90°
• Cell volume: 2119.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No