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Information card for entry 7010627
Preview
| Coordinates | 7010627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C101 H109 Cl4 N15 Ni2 O15 |
|---|---|
| Calculated formula | C101 H109 Cl4 N15 Ni2 O15 |
| Title of publication | Indole-based mono- and poly-nuclear acyclic chelating systems: syntheses and selected transition metal complexes |
| Authors of publication | Paul K. Bowyer; David StC. Black; Donald C. Craig; A. David Rae; Anthony C. Willis |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2001 |
| Journal issue | 13 |
| Pages of publication | 1948 - 1958 |
| a | 12.952 ± 0.012 Å |
| b | 14.602 ± 0.012 Å |
| c | 15.286 ± 0.013 Å |
| α | 70.36 ± 0.06° |
| β | 71.35 ± 0.06° |
| γ | 85.15 ± 0.07° |
| Cell volume | 2579 ± 4 Å3 |
| Cell temperature | 273.2 K |
| Ambient diffraction temperature | 273.2 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 | 0.152 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections | 0.121 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections | 1.296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.53 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7010627.cif |
| 179810 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/06. |
7010627.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7010627.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010627.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010627.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010627.cif |
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Users of the data should acknowledge the original authors of the
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