Information card for entry 7011469

Structure parameters

• Formula: C48 H56 B Cu N6 O2 P2
• Calculated formula: C48 H56 B Cu N6 O2 P2
• SMILES: [Cu]1([P](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)([P](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)[n]2n(cnc2)[BH2]n2[n]1cnc2.CO.CO
• 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: 10.1233 ± 0.0006 Å
• b: 14.0189 ± 0.0008 Å
• c: 16.0319 ± 0.0009 Å
• α: 84.151 ± 0.001°
• β: 86.363 ± 0.001°
• γ: 84.819 ± 0.001°
• Cell volume: 2250.7 ± 0.2 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.066
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections: 0.943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No