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Information card for entry 4075873
Preview
| Coordinates | 4075873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H56 Cl2 P2 Zr |
|---|---|
| Calculated formula | C42 H56 Cl2 P2 Zr |
| Title of publication | Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments |
| Authors of publication | Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 12 |
| Pages of publication | 3024 |
| a | 10.8977 ± 0.0011 Å |
| b | 10.9949 ± 0.0015 Å |
| c | 16.459 ± 0.002 Å |
| α | 78.178 ± 0.004° |
| β | 79.98 ± 0.004° |
| γ | 76.357 ± 0.004° |
| Cell volume | 1859.4 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4075873.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. |
4075873.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075873.cif |
| 50715 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075873 via cif-deposit CGI script. |
4075873.cif |
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Users of the data should acknowledge the original authors of the
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