Information card for entry 7011466

Structure parameters

• Formula: C48 H49 B Cu N9 P2
• Calculated formula: C48 H49 B Cu N9 P2
• Title of publication: Copper(i) coordination polymers and mononuclear copper(i) complexes built from poly(1,2,4-triazolyl)borate ligands and tri-organophosphinesElectronic supplementary information available: conductivity data for compounds 1‒14. See http://www.rsc.org/suppdata/dt/b2/b200200k/
• Authors of publication: Lobbia, Giancarlo Gioia; 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: 2002
• Journal issue: 11
• Pages of publication: 2333
• a: 10.201 ± 0.0008 Å
• b: 19.55 ± 0.0016 Å
• c: 22.391 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4465.4 ± 0.6 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections: 0.983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No