Information card for entry 2012061

Structure parameters

• Chemical name: poly[copper(II)-di-μ-hypophosphito-μ-urea]
• Formula: C H8 Cu N2 O5 P2
• Calculated formula: C H8 Cu N2 O5 P2
• SMILES: [Cu]12[O](=C(N)N)[Cu]([O]=[PH2]O2)([O]=[PH2]O1)(O[PH2]=O)(O[PH2]=O)[O]=C(N)N
• Title of publication: A urea complex of copper(II) hypophosphite at 293, 100 and 15K
• Authors of publication: Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 790 - 792
• a: 12.297 ± 0.003 Å
• b: 7.435 ± 0.001 Å
• c: 8.197 ± 0.002 Å
• α: 90°
• β: 99.72 ± 0.01°
• γ: 90°
• Cell volume: 738.7 ± 0.3 ų
• Cell temperature: 15 ± 1 K
• Ambient diffraction temperature: 15 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No