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Information card for entry 1541890
Preview
| Coordinates | 1541890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H70 Cu N2 O2 P |
|---|---|
| Calculated formula | C46 H70 Cu N2 O2 P |
| SMILES | [Cu](=C1N(c2c(cccc2C(C)C)C(C)C)C(CC1(CC)CC)(C)C)=C1N(c2c(cccc2C(C)C)C(C)C)C(CC1(CC)CC)(C)C.P#C[O-] |
| Title of publication | Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir–η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion |
| Authors of publication | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 3 |
| Pages of publication | 2335 |
| a | 9.4619 ± 0.0004 Å |
| b | 13.4134 ± 0.0006 Å |
| c | 16.9001 ± 0.0008 Å |
| α | 90° |
| β | 101.411 ± 0.002° |
| γ | 90° |
| Cell volume | 2102.5 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1097 |
| Residual factor for significantly intense reflections | 0.0893 |
| Weighted residual factors for significantly intense reflections | 0.2022 |
| Weighted residual factors for all reflections included in the refinement | 0.2121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.249 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297460 (current) | 2025-01-24 | Added a warning to entry 1541890 about a potentially unmarked disorder of the PCO- anion. |
1541890.cif |
| 177722 | 2016-03-05 | cif/ Updating files of 1541885, 1541886, 1541887, 1541888, 1541889, 1541890, 1541891, 1541892, 1541893, 1541894 Original log message: Adding full bibliography for 1541885--1541894.cif. |
1541890.cif |
| 173489 | 2016-01-05 | cif/ Adding structures of 1541885, 1541886, 1541887, 1541888, 1541889, 1541890, 1541891, 1541892, 1541893, 1541894 via cif-deposit CGI script. |
1541890.cif |
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