Information card for entry 2004730

Structure parameters

• Formula: C32 H32 Cu2 I2 N6 O2
• Calculated formula: C32 H32 Cu2 I2 N6 O2
• SMILES: C12(CC=C)[O]3[Cu]4(I)([n]5c1cccc5)[n]1c(C5(CC=C)[O]4[Cu]3(I)([n]3c2cccc3)[n]2c5cccc2)cccc1.CC#N.CC#N
• Title of publication: Dimeric Iodo[1,1-di(2-pyridyl)-3-butenolato]copper(II) Bis(acetonitrile) Solvate, [Cu~2~(C~14~H~13~N~2~O)~2~I~2~].2CH~3~CN
• Authors of publication: Bhaduri, S.; Rugmini, V.; Sapre, N. Y.; Jones, P. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 804 - 806
• a: 15.442 ± 0.003 Å
• b: 14.865 ± 0.004 Å
• c: 30.383 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6974 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.0766
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No