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Information card for entry 1541888
Preview
| Coordinates | 1541888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H129 Au3 N3 P |
|---|---|
| Calculated formula | C81 H129 Au3 N3 P |
| SMILES | [Au](P([Au]=C1N(c2c(C(C)C)cccc2C(C)C)C(C)(C)C[C@]21C[C@H](C)CC[C@H]2C(C)C)[Au]=C1N(c2c(C(C)C)cccc2C(C)C)C(C)(C)C[C@]21C[C@H](C)CC[C@H]2C(C)C)=C1N(c2c(C(C)C)cccc2C(C)C)C(C)(C)C[C@]21C[C@H](C)CC[C@H]2C(C)C |
| 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 | 23.2392 ± 0.0006 Å |
| b | 23.2392 ± 0.0006 Å |
| c | 27.9791 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 13086 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.0477 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215051 (current) | 2019-05-13 | cif/1 Fixing Z values and formulae |
1541888.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. |
1541888.cif |
| 173489 | 2016-01-05 | cif/ Adding structures of 1541885, 1541886, 1541887, 1541888, 1541889, 1541890, 1541891, 1541892, 1541893, 1541894 via cif-deposit CGI script. |
1541888.cif |
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