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Information card for entry 7000497
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Coordinates | 7000497.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 6 |
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Formula | C54 H70 Cl2 Cr Li N4 O4 |
Calculated formula | C54 H70 Cl2 Cr Li N4 O4 |
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 | 14.1176 ± 0.0002 Å |
b | 21.8758 ± 0.0004 Å |
c | 18.4573 ± 0.0003 Å |
α | 90° |
β | 108.323 ± 0.0007° |
γ | 90° |
Cell volume | 5411.24 ± 0.15 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0733 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.1157 |
Weighted residual factors for all reflections included in the refinement | 0.1264 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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. |
7000497.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000497.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000497.cif |
1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000497.cif |
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Users of the data should acknowledge the original authors of the
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