Information card for entry 2237065

Structure parameters

• Chemical name: [5-(Pyridin-2-yl)-1<i>H</i>-tetrazole- κ^2^<i>N</i>^4^,<i>N</i>^5^]bis(triphenylphosphane-κ<i>P</i>)copper(I) tetrafluoridoborate
• Formula: C42 H35 B Cu F4 N5 P2
• Calculated formula: C42 H35 B Cu F4 N5 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2ccccc2c2[n]1nn[nH]2.[B](F)(F)(F)[F-]
• Title of publication: [5-(Pyridin-2-yl)-1<i>H</i>-tetrazole-κ^2^<i>N</i>^4^,<i>N</i>^5^]bis(triphenylphosphane-κ<i>P</i>)copper(I) tetrafluoridoborate
• Authors of publication: Lu, Lei; Yang, Ping; Li, Bing; Shi, Lin-Fang; Cao, Hua-Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1527
• a: 9.664 ± 0.0019 Å
• b: 13.052 ± 0.003 Å
• c: 15.947 ± 0.003 Å
• α: 88.66 ± 0.03°
• β: 84.8 ± 0.03°
• γ: 85.72 ± 0.03°
• Cell volume: 1997.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes