Information card for entry 7204560

Structure parameters

• Formula: C12 H28 B2 Cu F8 N8 O2
• Calculated formula: C12 H28 B2 Cu F8 N8 O2
• SMILES: [Cu]12([NH]=C(NC(=[NH]1)OCC)NCC)[NH]=C(NC(=[NH]2)OCC)NCC.[B](F)(F)(F)[F-].[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: 5.2725 ± 0.0005 Å
• b: 15.204 ± 0.0015 Å
• c: 13.9432 ± 0.0013 Å
• α: 90°
• β: 99.532 ± 0.002°
• γ: 90°
• Cell volume: 1102.3 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.6942 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No