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Information card for entry 1504255
Preview
| Coordinates | 1504255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H78 Cl2 N6 Ni O12 Pd S4 |
|---|---|
| Calculated formula | C64 H78 Cl2 N6 Ni O12 Pd S4 |
| SMILES | [Ni]123Oc4c(C=[N]3c3c([N]1=Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)ccc(c1ccc2[N]5=Cc6c(O[Pd]75[N](c2c1)=Cc1cc(Cl)cc(Cl)c1O7)c(cc(c6)C(C)(C)C)C(C)(C)C)c3)cc(N(=O)=O)cc4N(=O)=O.O=S(C)C.O=S(C)C.O=S(C)C.O=S(C)C |
| Title of publication | Modular synthesis of heterobimetallic salen structures using metal templation. |
| Authors of publication | Castilla, Ana M.; Curreli, Simona; Escudero-Adán, Eduardo C; Belmonte, Marta Martínez; Benet-Buchholz, Jordi; Kleij, Arjan W. |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 22 |
| Pages of publication | 5218 - 5221 |
| a | 11.3134 ± 0.0005 Å |
| b | 15.5617 ± 0.0007 Å |
| c | 20.9829 ± 0.0008 Å |
| α | 77.205 ± 0.003° |
| β | 88.031 ± 0.003° |
| γ | 69.344 ± 0.002° |
| Cell volume | 3367 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1513 |
| Weighted residual factors for all reflections included in the refinement | 0.1644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504255.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504255.cif |
| 39544 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1504254, 1504255 via cif-deposit CGI script. |
1504255.cif |
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