Information card for entry 8101998

Structure parameters

• Chemical name: diiodo-bis[(4R,5R)-trans-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3- dioxalane]dicopper(I)
• Formula: C62 H64 Cu2 I2 O4 P4
• Calculated formula: C62 H64 Cu2 I2 O4 P4
• SMILES: [I]1[Cu]23[I][Cu]1([P](C[C@H]1OC(O[C@@H]1C[P]2(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1)[P](C[C@H]1OC(O[C@@H]1C[P]3(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of diiodo-bis[(4R,5R)-trans-4,5-bis[(diphenylphosphinomethyl)- 2,2-dimethyl-1,3-dioxalane]dicopper(I), Cu~2~I~2~(C~31~H~32~O~2~P~2~)~2~
• Authors of publication: Deng, Y.-H.; Yang, Y.-L.; Yang, X.-J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 316 - 318
• a: 10.0989 ± 0.0002 Å
• b: 12.8084 ± 0.0001 Å
• c: 12.8423 ± 0.0002 Å
• α: 65.074 ± 0.001°
• β: 84.31°
• γ: 87.854 ± 0.001°
• Cell volume: 1498.99 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No