Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240676
Preview
Coordinates | 2240676.cif |
---|---|
Structure factors | 2240676.hkl |
Original paper (by DOI) | HTML |
Chemical name | (4-Fluorophenyl-κ<i>C</i>^1^)iodido(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) |
---|---|
Formula | C12 H20 F I N2 Pd |
Calculated formula | C12 H20 F I N2 Pd |
SMILES | [Pd]1(I)([N](CC[N]1(C)C)(C)C)c1ccc(cc1)F |
Title of publication | Crystal structure of (4-fluorophenyl-κ<i>C</i>^1^)iodido(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) |
Authors of publication | Yan, Jin-Jin; Zheng, Chang-Ge |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 5 |
Pages of publication | m124 - m125 |
a | 9.456 ± 0.002 Å |
b | 12.802 ± 0.003 Å |
c | 24.953 ± 0.005 Å |
α | 90° |
β | 93.152 ± 0.002° |
γ | 90° |
Cell volume | 3016.1 ± 1.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0409 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.1179 |
Weighted residual factors for all reflections included in the refinement | 0.1199 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240676.cif 2240676.hkl |
176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240676.cif 2240676.hkl |
136458 | 2015-05-13 | cif/ hkl/ Adding structures of 2240676 via cif-deposit CGI script. |
2240676.cif 2240676.hkl |
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.