Information card for entry 7011467

Structure parameters

• Formula: C27 H28 B Cu N9 P
• Calculated formula: C27 H28 B Cu N9 P
• SMILES: [Cu]12([P](c3ccc(C)cc3)(c3ccc(C)cc3)c3ccc(C)cc3)[n]3n(cnc3)[BH](n3cnc[n]13)n1cnc[n]21
• 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: 10.9114 ± 0.0009 Å
• b: 11.8518 ± 0.001 Å
• c: 12.3165 ± 0.0011 Å
• α: 70.986 ± 0.002°
• β: 75.079 ± 0.002°
• γ: 71.896 ± 0.002°
• Cell volume: 1409.5 ± 0.2 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.067
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections: 0.903
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No