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Information card for entry 4072886
Preview
Coordinates | 4072886.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H74 B2 Fe Li2 O2 |
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Calculated formula | C62 H74 B2 Fe Li2 O2 |
Title of publication | Experimental Assessment of the Relative Affinities of Benzene and Ferrocene toward the Li+Cation |
Authors of publication | Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 7 |
Pages of publication | 1771 |
a | 15.6422 ± 0.0013 Å |
b | 18.8747 ± 0.0014 Å |
c | 20.159 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5951.8 ± 1.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.246 |
Residual factor for significantly intense reflections | 0.1477 |
Weighted residual factors for significantly intense reflections | 0.3479 |
Weighted residual factors for all reflections included in the refinement | 0.4106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178617 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/28. |
4072886.cif |
132087 | 2015-02-19 | cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'. |
4072886.cif |
120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072886.cif |
47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072886.cif |
46055 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072886 via cif-deposit CGI script. |
4072886.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.