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Information card for entry 4070195
Preview
| Coordinates | 4070195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C32 H53 B N2 P2 |
|---|---|
| Calculated formula | C32 H53 B N2 P2 |
| SMILES | B1N(c2c(N1CP(C1CCCCC1)C1CCCCC1)cccc2)CP(C1CCCCC1)C1CCCCC1 |
| Title of publication | Diphenylphosphino- or Dicyclohexylphosphino-Tethered Boryl Pincer Ligands: Syntheses of PBP Iridium(III) Complexes and Their Conversion to Iridium−Ethylene Complexes |
| Authors of publication | Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 21 |
| Pages of publication | 6234 |
| a | 15.22 ± 0.003 Å |
| b | 12.806 ± 0.003 Å |
| c | 17.477 ± 0.004 Å |
| α | 90° |
| β | 115.712 ± 0.0007° |
| γ | 90° |
| Cell volume | 3069.1 ± 1.2 Å3 |
| Cell temperature | 103.15 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0387 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4070195.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4070195.cif |
| 178590 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/01. |
4070195.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070195.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070195.cif |
| 40623 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070193, 4070194, 4070195, 4070196, 4070197, 4070198 via cif-deposit CGI script. |
4070195.cif |
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Users of the data should acknowledge the original authors of the
structural data.