Information card for entry 7005106

Structure parameters

• Formula: C24 H56 Cu4 I7 N8 O8 Y
• Calculated formula: C24 H56 Cu4 I7 N8 O8 Y
• SMILES: [Cu]12([Cu]345([Cu]67([Cu]([I]56)([I]7)I)([I]23)[I]4)[I]1)I.[Y]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: From discrete [Y(DMF)8][Cu4(mu3-I)2(mu-I)3I2] ion pairs to extended [Y(DMF)6(H2O)2][Cu7(mu4-I)3(mu3-I)2(mu-I)4(I)]1infinity and [Y(DMF)6(H2O)3][Cu(I)7Cu(II)2(mu3-I)8(mu-I)6]2infinity arrays by H-bond templating in a confined solvent-free environment.
• Authors of publication: Mishra, Shashank; Pfalzgraf, Liliane G Hubert; Jeanneau, Erwann; Chermette, Henry
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 410 - 413
• a: 17.386 ± 0.005 Å
• b: 11.819 ± 0.005 Å
• c: 26.162 ± 0.005 Å
• α: 90°
• β: 106.219 ± 0.005°
• γ: 90°
• Cell volume: 5162 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No