Information card for entry 7204563

Structure parameters

• Formula: C10 H24 B2 Cu F8 N8 O2
• Calculated formula: C10 H24 B2 Cu F8 N8 O2
• SMILES: [B](F)(F)(F)[F-].[Cu]12([NH]=C(NC(=[NH]2)OCC)NC)[NH]=C(NC(=[NH]1)OCC)NC.[B](F)(F)(F)[F-]
• 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: 5.118 ± 0.0006 Å
• b: 14.676 ± 0.002 Å
• c: 13.913 ± 0.002 Å
• α: 90°
• β: 99.989 ± 0.002°
• γ: 90°
• Cell volume: 1029.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No