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Information card for entry 4071695
Preview
| Coordinates | 4071695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H60 B10 N3 O3 P Zr |
|---|---|
| Calculated formula | C33 H60 B10 N3 O3 P Zr |
| SMILES | [Zr]1(N(C)C)(N(C)C)([O]=P(N(C(C)C)C(C)C)([C]2345[C]6781[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132)C1c2ccccc2c2ccccc12)[O]1CCCC1.O1CCCC1 |
| Title of publication | Synthesis and Structural Characterization of Group 4 Metal Complexes Bearing Pentavalent Phosphorus-Bridged Ligands [(C13H8)(iPr2N)P(−O)(C2B10H10)]2−and [(C13H9)(iPr2N)P(O)(C2B9H10)]2− |
| Authors of publication | Wang, Hong; Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3964 |
| a | 9.0355 ± 0.0006 Å |
| b | 26.3259 ± 0.0017 Å |
| c | 17.607 ± 0.0011 Å |
| α | 90° |
| β | 95.732 ± 0.002° |
| γ | 90° |
| Cell volume | 4167.2 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1899 |
| Residual factor for significantly intense reflections | 0.0927 |
| Weighted residual factors for significantly intense reflections | 0.2313 |
| Weighted residual factors for all reflections included in the refinement | 0.3111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178605 (current) | 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 4/07/16. |
4071695.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071695.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071695.cif |
| 43986 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071693, 4071694, 4071695, 4071696, 4071697, 4071698 via cif-deposit CGI script. |
4071695.cif |
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Users of the data should acknowledge the original authors of the
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