Information card for entry 7011392

Structure parameters

• Formula: C36 H66 Br Cu P2
• Calculated formula: C36 H66 Br Cu P2
• SMILES: [P]([Cu]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Br)(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: 18.034 ± 0.007 Å
• b: 9.104 ± 0.011 Å
• c: 22.281 ± 0.009 Å
• α: 90°
• β: 96.62 ± 0.03°
• γ: 90°
• Cell volume: 3634 ± 5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections: 1.625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.831
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No