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Information card for entry 4336749
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| Coordinates | 4336749.cif |
|---|---|
| Structure factors | 4336749.hkl |
| Original paper (by DOI) | HTML |
| Common name | Mo(eta6-C6H6)(CNArClips2)3 |
|---|---|
| Formula | C87 H81 Cl12 Mo N3 |
| Calculated formula | C81 H69 Cl12 Mo N3 |
| Title of publication | Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives |
| Authors of publication | Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 13216 - 13229 |
| a | 17.4444 ± 0.0005 Å |
| b | 23.2637 ± 0.0007 Å |
| c | 21.8457 ± 0.0006 Å |
| α | 90° |
| β | 112.525 ± 0.001° |
| γ | 90° |
| Cell volume | 8189.1 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0912 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181932 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/33. |
4336749.cif 4336749.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. |
4336749.cif 4336749.hkl |
| 179470 | 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 4/33/67. |
4336749.cif 4336749.hkl |
| 103164 | 2014-02-25 | hkl/4 Adding Fobs files for entries coming from J. Org. Chem. and Inorg. Chem. 2013 |
4336749.cif 4336749.hkl |
| 102766 | 2014-02-22 | cif/ Adding structures of 4336749 via cif-deposit CGI script. |
4336749.cif |
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Users of the data should acknowledge the original authors of the
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