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Information card for entry 4075877
Preview
| Coordinates | 4075877.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C56 H35 B F15 N P2 |
|---|---|
| Calculated formula | C56 H35 B F15 N P2 |
| SMILES | N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)CC |
| Title of publication | Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization |
| Authors of publication | Bavarian, Neda; Baird, Michael C. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 12 |
| Pages of publication | 2889 |
| a | 12.854 ± 0.002 Å |
| b | 18.717 ± 0.003 Å |
| c | 20.397 ± 0.004 Å |
| α | 90° |
| β | 91.713 ± 0.003° |
| γ | 90° |
| Cell volume | 4905.1 ± 1.5 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.1344 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.0924 |
| Weighted residual factors for all reflections included in the refinement | 0.1082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.799 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 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. |
4075877.cif |
| 178647 | 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 4/07/58. |
4075877.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075877.cif |
| 50719 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075877 via cif-deposit CGI script. |
4075877.cif |
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