Information card for entry 4316548

Structure parameters

• Formula: C32 H48 Cu F6 N10 O2 P
• Calculated formula: C32 H48 Cu F6 N10 O2 P
• SMILES: C1(=O)N(C(C)C)N2C(c3[n]([Cu]42[n]2c(C5N4N(C(=O)N(C(C)C)N=5)C(C)C)cccc2C(C)C)c(ccc3)C(C)C)=NN1C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Geometric Control of Ground State Multiplicity in a Copper(I) Bis(verdazyl) Complex
• Authors of publication: David J. R. Brook; Gordon T. Yee; Mike Hundley; David Rogow; Janice Wong; Khanh Van-Tu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8573 - 8577
• a: 22.544 ± 0.0001 Å
• b: 11.5764 ± 0.0001 Å
• c: 17.157 ± 0.001 Å
• α: 90°
• β: 123.907 ± 0.001°
• γ: 90°
• Cell volume: 3716.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No