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Information card for entry 4068891
Preview
| Coordinates | 4068891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H98 Ag2 B2 N10 |
|---|---|
| Calculated formula | C102 H98 Ag2 B2 N10 |
| SMILES | [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(CCC)N1C2=[Ag]=C3N(CCCC)c4ccccc4N3c3cccc(N4C(=[Ag]=C5N(CCCC)c6ccccc6N5c5nc(ccc5)N2c2ccccc12)N(CCCC)c1ccccc41)n3.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Silver and Palladium Complexes of a Bis(benzimidazolin-2-ylidene)pyridine Pincer Ligand |
| Authors of publication | Brown, David H.; Nealon, Gareth L.; Simpson, Peter V.; Skelton, Brian W.; Wang, Zhisen |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 6 |
| Pages of publication | 1965 |
| a | 24.0034 ± 0.0013 Å |
| b | 17.3322 ± 0.0005 Å |
| c | 20.4685 ± 0.0007 Å |
| α | 90° |
| β | 104.162 ± 0.004° |
| γ | 90° |
| Cell volume | 8256.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0624 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.1006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178578 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/88. |
4068891.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068891.cif |
| 40024 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068890, 4068891, 4068892, 4068893 via cif-deposit CGI script. |
4068891.cif |
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Users of the data should acknowledge the original authors of the
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