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Information card for entry 7216300
Preview
| Coordinates | 7216300.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Fluorene-tetracyanobenzene complex |
|---|---|
| Formula | C23 H12 N4 |
| Calculated formula | C23 H10 N4 |
| Title of publication | Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/ |
| Authors of publication | Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano |
| Journal of publication | CrystEngComm |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 68 |
| Pages of publication | 388 |
| a | 7.416 ± 0.009 Å |
| b | 8.074 ± 0.009 Å |
| c | 8.118 ± 0.009 Å |
| α | 106.13 ± 0.02° |
| β | 93.94 ± 0.02° |
| γ | 91.53 ± 0.02° |
| Cell volume | 465.3 ± 0.9 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.186 |
| Residual factor for significantly intense reflections | 0.1381 |
| Weighted residual factors for significantly intense reflections | 0.35 |
| Weighted residual factors for all reflections included in the refinement | 0.3893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180494 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/63. |
7216300.cif |
| 115359 | 2014-06-03 | cif/ Adding structures of 7216299, 7216300, 7216301 via cif-deposit CGI script. |
7216300.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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Users of the data should acknowledge the original authors of the
structural data.