Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4330884
Preview
| Coordinates | 4330884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound X |
|---|---|
| Formula | C64.5 H41 Cl5 F10 Fe2 N2 O Pt2 |
| Calculated formula | C62 H34 F10 Fe2 N2 Pt2 |
| SMILES | [Pt]12(c3cccc4ccc5ccc[n]1c5c34)([C]([Pt]13([n]4cccc5ccc6cccc(c6c45)[C]1#[C]3[c]13[Fe]456789%10([cH]1[cH]4[cH]5[cH]36)[cH]1[cH]7[cH]8[cH]9[cH]%101)c1c(c(c(c(c1F)F)F)F)F)#[C]2[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | Facile Metalation of Hbzq by [cis-Pt(C6F5)2(thf)2]: A Route to a Pentafluorophenyl Benzoquinolate Solvate Complex That Easily Coordinates Terminal Alkynes. Spectroscopic and Optical Properties |
| Authors of publication | Jesús R. Berenguer; Elena Lalinde; M. Teresa Moreno; Sergio Sánchez; Javier Torroba |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 11665 - 11679 |
| a | 13.438 ± 0.0008 Å |
| b | 14.339 ± 0.0009 Å |
| c | 14.463 ± 0.0009 Å |
| α | 108.519 ± 0.003° |
| β | 91.022 ± 0.004° |
| γ | 93.348 ± 0.003° |
| Cell volume | 2636.1 ± 0.3 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 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 | 0.0765 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4330884.cif |
| 80343 | 2013-04-07 | cif/ Adding structures of 4330884 via cif-deposit CGI script. |
4330884.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.