Information card for entry 7204559

Structure parameters

• Formula: C12 H28 Cu N10 O8
• Calculated formula: C12 H8 Cu N10 O8
• Title of publication: Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates
• Authors of publication: Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 23
• a: 5.383 ± 0.001 Å
• b: 15.581 ± 0.003 Å
• c: 12.685 ± 0.002 Å
• α: 90°
• β: 101.746 ± 0.004°
• γ: 90°
• Cell volume: 1041.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.6942 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No