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Information card for entry 7009257
Preview
| Coordinates | 7009257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compound 14 |
|---|---|
| Formula | C51 H64 B Co N3 Ni O10 P3 |
| Calculated formula | C51 H64 B Co N3 Ni O10 P3 |
| SMILES | [Ni]123(O[P]([Co]4567([P](O1)(OC)OC)([P](O2)(OC)OC)[cH]1[cH]4[cH]5[cH]6[cH]71)(OC)OC)([n]1ccccc1c1[n]3cccc1)[N]#CC.O(CC)CC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | An entry to half-sandwich complexes of first row transition metals (Ni, Co, Mn) containing the Kläui tripodal ligand, LOMe: synthesis and crystal structures of oligomeric, [LOMeM(μ-X)(L)]n (n = 2, 4), and monomeric complexes, LOMeM(L2)(X) |
| Authors of publication | De-qiang Ma; Shiro Hikichi; Munetaka Akita; Yoshihiko Moro-oka |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2000 |
| Journal issue | 7 |
| Pages of publication | 1123 - 1134 |
| a | 12.468 ± 0.002 Å |
| b | 16.435 ± 0.003 Å |
| c | 26.532 ± 0.012 Å |
| α | 90° |
| β | 96.85 ± 0.03° |
| γ | 90° |
| Cell volume | 5398 ± 3 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0745 |
| Residual factor for significantly intense reflections | 0.0701 |
| Weighted residual factors for significantly intense reflections | 0.2014 |
| Weighted residual factors for all reflections included in the refinement | 0.2063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.697 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179796 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/92. |
7009257.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009257.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009257.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009257.cif |
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