Information card for entry 7011389

Structure parameters

• Formula: C36 H66 Cu2 I2 P2
• Calculated formula: C36 H66 Cu2 I2 P2
• SMILES: [P]([Cu]1[I][Cu]([I]1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Structural and spectroscopic studies on three-coordinate complexes of copper(i) halides with tricyclohexylphosphine
• Authors of publication: Bowmaker, Graham A.; Boyd, Sue E.; Hanna, John V.; Hart, Robert D.; Healy, Peter C.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2722
• a: 8.802 ± 0.003 Å
• b: 9.832 ± 0.004 Å
• c: 12.935 ± 0.003 Å
• α: 100.31 ± 0.03°
• β: 86.07 ± 0.03°
• γ: 116.94 ± 0.02°
• Cell volume: 981.7 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections: 1.554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No