Information card for entry 7009790

Structure parameters

• Formula: C34 H35 B Cu N8 P
• Calculated formula: C34 H35 B Cu N8 P
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n(ccc3C)[B](n3[n]1c(cc3)C)(n1[n]2c(cc1)C)n1nc(cc1)C
• 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: 12.405 ± 0.002 Å
• b: 12.621 ± 0.002 Å
• c: 12.948 ± 0.003 Å
• α: 66.897 ± 0.003°
• β: 66.169 ± 0.003°
• γ: 67.181 ± 0.003°
• Cell volume: 1641.1 ± 0.5 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 293 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: 0.072
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No