Information card for entry 7011468

Structure parameters

• Formula: C24 H40 B Cu N9 P
• Calculated formula: C24 H40 B Cu N9 P
• SMILES: [Cu]12([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)[n]3n([BH](n4[n]1cnc4)n1[n]2cnc1)cnc3
• 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: 9.2098 ± 0.0005 Å
• b: 14.5388 ± 0.0007 Å
• c: 21.0453 ± 0.001 Å
• α: 90°
• β: 101.377 ± 0.001°
• γ: 90°
• Cell volume: 2762.6 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No