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Information card for entry 4335121
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| Coordinates | 4335121.cif |
|---|---|
| Structure factors | 4335121.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | μ-Furan-2,5-diylbis(ethoxycarbene)-bis[pentacarbonylchromium(0)] |
|---|---|
| Formula | C20 H12 Cr2 O13 |
| Calculated formula | C20 H12 Cr2 O13 |
| Title of publication | Substituent Effects on the Electrochemical, Spectroscopic, and Structural Properties of Fischer Mono- and Biscarbene Complexes of Chromium(0) |
| Authors of publication | Belinda van der Westhuizen; Pieter J. Swarts; Louise M. van Jaarsveld; David C. Liles; Uwe Siegert; Jannie C. Swarts; Israel Fernández; Daniela I. Bezuidenhout |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 6674 - 6684 |
| a | 6.2838 ± 0.0005 Å |
| b | 12.6526 ± 0.0009 Å |
| c | 29.1888 ± 0.0019 Å |
| α | 89.575 ± 0.002° |
| β | 88.03 ± 0.002° |
| γ | 87.423 ± 0.002° |
| Cell volume | 2316.9 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.0786 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4335121.cif 4335121.hkl |
| 181932 | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/33. |
4335121.cif 4335121.hkl |
| 180700 | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4335121.cif 4335121.hkl |
| 179454 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/51. |
4335121.cif 4335121.hkl |
| 103164 | 2014-02-25 | hkl/4 Adding Fobs files for entries coming from J. Org. Chem. and Inorg. Chem. 2013 |
4335121.cif 4335121.hkl |
| 101026 | 2014-02-10 | cif/ Adding structures of 4335121 via cif-deposit CGI script. |
4335121.cif |
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Users of the data should acknowledge the original authors of the
structural data.