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Information card for entry 4086134
Preview
| Coordinates | 4086134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H37 Br Cl N4 Rh |
|---|---|
| Calculated formula | C48 H36 Br Cl N4 Rh |
| SMILES | [Rh]123(Cl)(Br)[n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccc(cc1)C)cc2)c1ccc(cc1)C)cc3)c1ccc(cc1)C)cc6)c1ccc(cc1)C |
| Title of publication | Facile Aerobic Alkylation of Rhodium Porphyrins with Alkyl Halides |
| Authors of publication | Yang, Wu; Zuo, Huiping; Lai, Wai Yan; Feng, Shiyu; Pang, Yat Sing; Hung, Kai En; Yu, Chu Yi; Lau, Yin Fan; Tsoi, Ho Yin; Chan, Kin Shing |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 16 |
| Pages of publication | 4051 |
| a | 25.5829 ± 0.0007 Å |
| b | 28.0608 ± 0.0009 Å |
| c | 12.9824 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9319.8 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1568 |
| Residual factor for significantly intense reflections | 0.1286 |
| Weighted residual factors for significantly intense reflections | 0.3286 |
| Weighted residual factors for all reflections included in the refinement | 0.3438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
4086134.cif |
| 154749 | 2015-09-06 | cif/ Updating files of 4086134 Original log message: Adding full bibliography for 4086134.cif. |
4086134.cif |
| 152672 | 2015-08-01 | cif/ Adding structures of 4086134 via cif-deposit CGI script. |
4086134.cif |
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