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Information card for entry 4071696
Preview
| Coordinates | 4071696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H45 B9 N3 O P Zr |
|---|---|
| Calculated formula | C25 H45 B9 N3 O P Zr |
| SMILES | [Zr]12345([O]=P(N(C(C)C)C(C)C)([C]6782[CH]293[BH]3%104[BH]4%115[BH]516[BH]61%11[BH]%11%104[BH]493[BH]372[BH]856[BH]1%1143)C1c2ccccc2c2ccccc12)(N(C)C)N(C)C |
| 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 | 10.59 ± 0.003 Å |
| b | 11.642 ± 0.003 Å |
| c | 13.723 ± 0.004 Å |
| α | 87.653 ± 0.004° |
| β | 70.193 ± 0.003° |
| γ | 83.505 ± 0.003° |
| Cell volume | 1581.6 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0693 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1238 |
| Weighted residual factors for all reflections included in the refinement | 0.1387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| 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. |
4071696.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071696.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071696.cif |
| 43986 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071693, 4071694, 4071695, 4071696, 4071697, 4071698 via cif-deposit CGI script. |
4071696.cif |
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Users of the data should acknowledge the original authors of the
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