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Information card for entry 1512751
Preview
Coordinates | 1512751.cif |
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Original paper (by DOI) | HTML |
Formula | C101 H151 B2 Fe N6 O12 S6 |
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Calculated formula | C99.5 H144 B2 Fe N6 O12 S6 |
Title of publication | Structure, spectral and electrochemical properties of the 2,6-di-tert-butylphenol-functionalized iron and cobalt(II) clathrochelates and their phenylsulfide analogs |
Authors of publication | Alexander S. Belov; Irina G. Belaya; Valentin V. Novikov; Zoya A. Starikova; Ernest V. Polshin; Alexander V. Dolganov; Ekaterina G. Lebed |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 394 |
Pages of publication | 269 - 281 |
a | 14.37 ± 0.004 Å |
b | 15.159 ± 0.005 Å |
c | 30.681 ± 0.008 Å |
α | 80.973 ± 0.007° |
β | 89.983 ± 0.005° |
γ | 61.829 ± 0.005° |
Cell volume | 5798 ± 3 Å3 |
Cell temperature | 393 ± 2 K |
Ambient diffraction temperature | 393 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.154 |
Residual factor for significantly intense reflections | 0.0861 |
Weighted residual factors for significantly intense reflections | 0.1839 |
Weighted residual factors for all reflections included in the refinement | 0.2086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512751.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512751.cif |
90827 | 2013-11-19 | cif/ Adding structures of 1512751 via cif-deposit CGI script. |
1512751.cif |
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Users of the data should acknowledge the original authors of the
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