Information card for entry 8103021

Structure parameters

• Chemical name: Crystal structure of {[μ-bis(diphenylphosphino) methane]-bis-μ-iodo-quinoline-isoquinolinedicopper(I)}, [Cu~2~(dppm)(C~9~H~7~N)(i-C~9~H~7~N)I~2~]
• Formula: C43 H36 Cu2 I2 N2 P2
• Calculated formula: C43 H36 Cu2 I2 N2 P2
• SMILES: [I]1[Cu]23([I][Cu]12([n]1ccc2c(c1)cccc2)[P](c1ccccc1)(c1ccccc1)C[P]3(c1ccccc1)c1ccccc1)[n]1c2c(cccc2)ccc1
• Title of publication: Crystal structure of [m-bis(diphenylphosphino) methane]-bis-m-iodo-quinoline-isoquinolinedicopper(I), [Cu2(CH2(P(C6H5)2)2)(C9H7N)(i-C9H7N)]I2
• Authors of publication: Qiong-Hua Jin; Li-Li Zhou; Xiao-Dong Yang; Jing-Jing Sun; Pei-Zhou Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 2
• Pages of publication: 139
• a: 17.6043 ± 0.0004 Å
• b: 19.997 ± 0.0005 Å
• c: 22.5109 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7924.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No