Information card for entry 7009785

Structure parameters

• Formula: C37 H41 B Cu N8 P
• Calculated formula: C37 H41 B Cu N8 P
• SMILES: [Cu]12([P](c3ccc(C)cc3)(c3ccc(C)cc3)c3ccc(C)cc3)[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: 11.2796 ± 0.0008 Å
• b: 15.91 ± 0.0012 Å
• c: 19.798 ± 0.0015 Å
• α: 90°
• β: 100.523 ± 0.001°
• γ: 90°
• Cell volume: 3493.2 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections: 1.433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.596
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No