Information card for entry 7204561

Structure parameters

• Formula: C22.5 H35 Cu N10 O9
• Calculated formula: C22.5 H33 Cu N10 O9
• SMILES: [Cu]12([NH]=C(NC(=[NH]1)OC)NCc1ccccc1)[NH]=C(NC(=[NH]2)OC)NCc1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O(CC)CC.OC
• 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: 11.1621 ± 0.0011 Å
• b: 16.1935 ± 0.0015 Å
• c: 17.328 ± 0.002 Å
• α: 83.861 ± 0.002°
• β: 74.106 ± 0.002°
• γ: 81.143 ± 0.002°
• Cell volume: 2969.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No