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Information card for entry 7009252
Preview
| Coordinates | 7009252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compound 7c(Ni) |
|---|---|
| Formula | C36 H58 Cl4 Co2 N2 Ni2 O24 P6 |
| Calculated formula | C36 H58 Cl4 Co2 N2 Ni2 O24 P6 |
| SMILES | N1(=O)c2c(cccc2)[O]2[Ni]34(O[P]([Co]5678([P](O3)(OC)OC)([cH]3[cH]6[cH]7[cH]8[cH]53)[P](O4)(OC)OC)(OC)OC)([O]=1)[O](c1c(N(=[O]3)=O)cccc1)[Ni]1342O[P]([Co]2356([P](O1)(OC)OC)([P](O4)(OC)OC)[cH]1[cH]2[cH]6[cH]3[cH]51)(OC)OC.C(Cl)Cl.C(Cl)Cl |
| 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 | 24.196 ± 0.004 Å |
| b | 24.838 ± 0.003 Å |
| c | 10.667 ± 0.002 Å |
| α | 90° |
| β | 100.374 ± 0.003° |
| γ | 90° |
| Cell volume | 6305.9 ± 1.8 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0795 |
| Residual factor for significantly intense reflections | 0.0754 |
| Weighted residual factors for significantly intense reflections | 0.2146 |
| Weighted residual factors for all reflections included in the refinement | 0.2172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.799 |
| 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. |
7009252.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009252.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009252.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009252.cif |
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