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Information card for entry 7011467
Preview
Coordinates | 7011467.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H28 B Cu N9 P |
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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 Å3 |
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 |
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