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Information card for entry 7027779
Preview
Coordinates | 7027779.cif |
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Original paper (by DOI) | HTML |
Chemical name | (2,9-dimethyl-1,10-phenanthroline)(2-cyanoguanidine)copper(I) tetrafluoroborate ether adduct (2/1) |
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Formula | C18 H21 B Cu F4 N6 O0.5 |
Calculated formula | C18 H21 B Cu F4 N6 O0.5 |
Title of publication | The role of π‒π stacking interactions in stabilising trigonal planar copper(I) in Cu(BF4)‒2,9-dimethyl-1,10-phenanthroline‒nitrile systems† |
Authors of publication | Blake, Alexander J.; Hubberstey, Peter; Li, Wan-Sheung; Quinlan, Daniel J.; Russell, Claire E.; Sampson, Claire L. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 23 |
Pages of publication | 4261 |
a | 16.547 ± 0.005 Å |
b | 19.404 ± 0.012 Å |
c | 13.657 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4385 ± 3 Å3 |
Cell temperature | 210 ± 2 K |
Ambient diffraction temperature | 210 ± 2 K |
Number of distinct elements | 7 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1335 |
Residual factor for significantly intense reflections | 0.0741 |
Weighted residual factors for all reflections | 0.1411 |
Weighted residual factors for significantly intense reflections | 0.0922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.2031 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7027779.cif |
95780 | 2014-01-28 | cif/ Adding structures of 7027779, 7027780, 7027781 via cif-deposit CGI script. |
7027779.cif |
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Users of the data should acknowledge the original authors of the
structural data.