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Information card for entry 7009740
Preview
Coordinates | 7009740.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H64 N14 O20 |
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Calculated formula | C36 H62 N14 O20 |
Title of publication | Protonated azacryptate hosts for nitrate and perchlorate |
Authors of publication | Hynes, Michael J.; Maubert, Beatrice; McKee, Vickie; Town, Raewyn M.; Nelson, Jane |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2000 |
Journal issue | 16 |
Pages of publication | 2853 |
a | 10.1676 ± 0.0008 Å |
b | 10.3453 ± 0.0008 Å |
c | 25.51 ± 0.002 Å |
α | 80.453 ± 0.002° |
β | 84.666 ± 0.002° |
γ | 62.182 ± 0.002° |
Cell volume | 2340 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0582 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1238 |
Weighted residual factors for all reflections included in the refinement | 0.1272 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.6923 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179801 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/97. |
7009740.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009740.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009740.cif |
3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009740.cif |
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Users of the data should acknowledge the original authors of the
structural data.