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Information card for entry 8101845
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| Coordinates | 8101845.cif |
|---|---|
| External links | PubChem |
| Chemical name | [N-benzoyl-N'-(2-pyridylmethylene)hydrazine]bis(trimethylphosphine)copper(I) tetrafluoroborate |
|---|---|
| Formula | C48 H40 B Cu F4 N4 O P2 |
| Calculated formula | C48 H40 B Cu F4 N4 O P2 |
| Title of publication | Crystal structure of (N-benzoyl-N'-(2-pyridylmethylene)hydrazine)bis (trimethylphosphine)copper(I) tetrafluoro- borate, [Cu(C~12~H~10~N~4~O) {P(C~6~H~5~)~3~}~2~]BF~4~ |
| Authors of publication | T.-J. Cai; Y.-F. Long; Q. Deng; Z.-S. Peng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 506 - 508 |
| a | 11.909 ± 0.002 Å |
| b | 13.046 ± 0.002 Å |
| c | 15.144 ± 0.003 Å |
| α | 99.617 ± 0.004° |
| β | 96.925 ± 0.004° |
| γ | 96.039 ± 0.003° |
| Cell volume | 2283.9 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0843 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1226 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101845.cif |
| 176728 | 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 8. |
8101845.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101845.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101845.cif |
| 12584 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101845 via cif-deposit CGI script. |
8101845.cif |
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