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Information card for entry 7011990
Preview
| Coordinates | 7011990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | [C6H4{CH2N(C6H4iPr2)Zr(NMe2)3}2] |
|---|---|
| Formula | C44 H74 N8 Zr2 |
| Calculated formula | C44 H74 N8 Zr2 |
| SMILES | [Zr](N(c1c(cccc1C(C)C)C(C)C)Cc1cccc(c1)CN([Zr](N(C)C)(N(C)C)N(C)C)c1c(cccc1C(C)C)C(C)C)(N(C)C)(N(C)C)N(C)C |
| Title of publication | Synthesis and structures of dinuclear low-coordinate lithium and zirconium(IV) complexes derived from the diamido ligands 1,3-(CH2C6H3R12)2C6H4(R1= Me or Pri) |
| Authors of publication | Stéphane Daniele; Peter B. Hitchcock; Michael F. Lappert; Terence A. Nile; Colette M. Zdanski |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 21 |
| Pages of publication | 3980 - 3984 |
| a | 11.315 ± 0.004 Å |
| b | 12.706 ± 0.006 Å |
| c | 18.04 ± 0.007 Å |
| α | 75.53 ± 0.04° |
| β | 77.94 ± 0.03° |
| γ | 84.97 ± 0.03° |
| Cell volume | 2454.2 ± 1.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1363 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011990.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7011990.cif |
| 179823 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/19. |
7011990.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011990.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011990.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011990.cif |
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