Information card for entry 4065472

Structure parameters

• Chemical name: Bis-[N,N'-3,7-diallyl-3,7-diaza-bicyclo[3.3.1]nonane- (N,N'-Diallyl-bispidine)-iodo-copper(II)]
• Formula: C26 H44 Cu2 I2 N4
• Calculated formula: C26 H44 Cu2 I2 N4
• SMILES: [I]1[Cu]23([I][Cu]412[N]1(CC2C[N]4(CC(C1)C2)CC=C)CC=C)[N]1(CC2C[N]3(CC(C1)C2)CC=C)CC=C
• Title of publication: Synthesis and Coordination Chemistry ofN,N-Diallylbispidine
• Authors of publication: Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6241
• a: 9.2877 ± 0.0007 Å
• b: 17.5304 ± 0.0012 Å
• c: 9.1855 ± 0.0007 Å
• α: 90°
• β: 98.594 ± 0.006°
• γ: 90°
• Cell volume: 1478.76 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0282
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No