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Information card for entry 4316035
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Coordinates | 4316035.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Co(TPP)(NO)] |
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Chemical name | nitrosyl-tetraphenylporphyrinato-cobalt(II) |
Formula | C44 H28 Co N5 O |
Calculated formula | C44 H28 Co N5 O |
Title of publication | Dynamics of NO Motion in Solid-State [Co(tetraphenylporphinato)(NO)] |
Authors of publication | Laura M. Grande; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 6552 - 6557 |
a | 9.667 ± 0.005 Å |
b | 9.932 ± 0.004 Å |
c | 10.357 ± 0.005 Å |
α | 81.93 ± 0.03° |
β | 65.56 ± 0.03° |
γ | 68.86 ± 0.03° |
Cell volume | 844.3 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.062 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for significantly intense reflections | 0.1346 |
Weighted residual factors for all reflections included in the refinement | 0.1455 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179240 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/60. |
4316035.cif |
130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4316035.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316035.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316035.cif |
11788 | 2011-02-22 | cif/4/ Redepositing CIFs that were formally processed with an old version of cif_fix_values script. |
4316035.cif |
9209 | 2011-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4316035 via cif-deposit CGI script. |
4316035.cif |
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Users of the data should acknowledge the original authors of the
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