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Information card for entry 4306181
Preview
| Coordinates | 4306181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Br)2[(THF)Cu(CNArMes2)]2 |
|---|---|
| Formula | C62 H74 Br2 Cu2 N2 O3 |
| Calculated formula | C58 H66 Br2 Cu2 N2 O2 |
| SMILES | C(#[N]c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[Cu]1([O]2CCCC2)[Br][Cu](C#[N]c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)([O]2CCCC2)[Br]1 |
| Title of publication | Solution Behavior and Structural Properties of Cu(I) Complexes Featuringm-Terphenyl Isocyanides |
| Authors of publication | Brian J. Fox; Queena Y. Sun; Antonio G. DiPasquale; Alexander R. Fox; Arnold L. Rheingold; Joshua S. Figueroa |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 9010 - 9020 |
| a | 8.2999 ± 0.0006 Å |
| b | 11.6485 ± 0.0009 Å |
| c | 29.157 ± 0.002 Å |
| α | 90° |
| β | 95.291 ± 0.001° |
| γ | 90° |
| Cell volume | 2806.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0592 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
4306181.cif |
| 179099 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/61. |
4306181.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306181.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306181.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
4306181.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4306181.cif |
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