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Information card for entry 1507242
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| Coordinates | 1507242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5-H2O |
|---|---|
| Chemical name | [[1,1'-bis(1-methylbenzimidazol-2-yl) -1''-(methoxy)ethane]copper(II) dichloride] water |
| Formula | C19 H22 Cl2 Cu N4 O2 |
| Calculated formula | C19 H22 Cl2 Cu N4 O2 |
| SMILES | [Cu]1([n]2c3c(n(C)c2C(OC)(c2n(C)c4c([n]12)cccc4)C)cccc3)(Cl)Cl.O |
| 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 | 9.195 ± 0.0007 Å |
| b | 10.6666 ± 0.0009 Å |
| c | 11.7048 ± 0.001 Å |
| α | 68.734 ± 0.006° |
| β | 72.373 ± 0.007° |
| γ | 76.602 ± 0.006° |
| Cell volume | 1009.95 ± 0.15 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| 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. |
1507242.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507242.cif |
| 53764 | 2012-04-20 | cif/ Adding structures of 1507239, 1507240, 1507241, 1507242, 1507243, 1507244 via cif-deposit CGI script. |
1507242.cif |
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Users of the data should acknowledge the original authors of the
structural data.