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Information card for entry 7000499
Preview
Coordinates | 7000499.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 8 |
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Formula | C96 H119 Cr2 N3 O8 |
Calculated formula | C96 H119 Cr2 N3 O8 |
Title of publication | New structural motifs in chromium(iii) calix[4 and 6]arene chemistry |
Authors of publication | Redshaw, Carl; Homden, Damien; Hughes, David L.; Wright, Joseph A.; Elsegood, Mark R. J. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 7 |
Pages of publication | 1231 - 1242 |
a | 12.7763 ± 0.0009 Å |
b | 17.4322 ± 0.0012 Å |
c | 19.7593 ± 0.0014 Å |
α | 90° |
β | 90.4736 ± 0.0009° |
γ | 90° |
Cell volume | 4400.6 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1908 |
Residual factor for significantly intense reflections | 0.1662 |
Weighted residual factors for significantly intense reflections | 0.4422 |
Weighted residual factors for all reflections included in the refinement | 0.4653 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.671 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179682 (current) | 2016-03-24 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/04. |
7000499.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000499.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000499.cif |
1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000499.cif |
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Users of the data should acknowledge the original authors of the
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