Information card for entry 7009786

Structure parameters

• Formula: C32 H34 B Cu N4 P2
• Calculated formula: C32 H34 B Cu N4 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)C)([P](c2ccccc2)(c2ccccc2)C)[n]2n(ccc2)[BH2]n2[n]1ccc2
• Title of publication: Synthesis, spectroscopic characterization, and structural systematics of new triorganophosphinecopper(I) poly(pyrazol-1-yl)borate complexes †
• Authors of publication: Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; Somers, Neil; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 3416
• a: 9.882 ± 0.001 Å
• b: 10.56 ± 0.002 Å
• c: 16.301 ± 0.002 Å
• α: 77.826 ± 0.002°
• β: 79.893 ± 0.002°
• γ: 66.779 ± 0.002°
• Cell volume: 1520 ± 0.4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections: 1.511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.567
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No