Information card for entry 7009787

Structure parameters

• Formula: C34 H53 B Cu N8 P
• Calculated formula: C34 H53 B Cu N8 P
• SMILES: [Cu]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[n]2n([B](n3[n]1c(cc3)C)(n1nc(cc1)C)n1nc(cc1)C)ccc2C
• 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: 12.736 ± 0.002 Å
• b: 15.229 ± 0.002 Å
• c: 18.834 ± 0.002 Å
• α: 90°
• β: 105.386 ± 0.002°
• γ: 90 ± 3°
• Cell volume: 3522.1 ± 0.8 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• 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: 0.061
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections: 1.369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.51
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No