Information card for entry 7005141

Structure parameters

• Formula: C44 H64 Cu2 F12 N8 O4 P2
• Calculated formula: C44 H64 Cu2 F12 N8 O4 P2
• SMILES: [Cu]12([O]=C(NCc3[n]([Cu]4([O]=C(NCc5[n]4cccc5)C(C)(C)C)[O]=C(NCc4[n]2cccc4)C(C)(C)C)cccc3)C(C)(C)C)[O]=C(NCc2[n]1cccc2)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structural variation in copper(I) complexes with pyridylmethylamide ligands: structural analysis with a new four-coordinate geometry index, tau4.
• Authors of publication: Yang, Lei; Powell, Douglas R.; Houser, Robert P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 9
• Pages of publication: 955 - 964
• a: 15.2619 ± 0.0008 Å
• b: 19.9179 ± 0.0011 Å
• c: 18.4954 ± 0.001 Å
• α: 90°
• β: 110.175 ± 0.001°
• γ: 90°
• Cell volume: 5277.4 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.029
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No