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Information card for entry 1507244
Preview
| Coordinates | 1507244.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [(rac 2,2'-bis[2-(1-ethyl benzimidazol-2-yl)]biphenyl)copper(II) dichloride] 1,2-dichlorobenzene |
|---|---|
| Formula | C36 H30 Cl4 Cu N4 |
| Calculated formula | C36 H30 Cl4 Cu N4 |
| SMILES | [Cu]1(Cl)(Cl)[n]2c(n(c3c2cccc3)CC)c2ccccc2c2c(c3[n]1c1c(n3CC)cccc1)cccc2.Clc1c(Cl)cccc1 |
| Title of publication | Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts |
| Authors of publication | Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A. |
| Journal of publication | Macromolecules |
| Year of publication | 2003 |
| Journal volume | 36 |
| Journal issue | 23 |
| Pages of publication | 8584 |
| a | 16.25 ± 0.004 Å |
| b | 15.629 ± 0.008 Å |
| c | 14.067 ± 0.005 Å |
| α | 90 ± 0.03° |
| β | 109.01 ± 0.03° |
| γ | 90 ± 0.03° |
| Cell volume | 3378 ± 2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1588 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
1507244.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507244.cif |
| 53764 | 2012-04-20 | cif/ Adding structures of 1507239, 1507240, 1507241, 1507242, 1507243, 1507244 via cif-deposit CGI script. |
1507244.cif |
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Users of the data should acknowledge the original authors of the
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