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Information card for entry 1560007
Preview
| Coordinates | 1560007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C77 H70 B Cl2 N2 O2 P3 Ti |
|---|---|
| Calculated formula | C77 H70 B Cl2 N2 O2 P3 Ti |
| SMILES | [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[N]1=P(c2ccccc2)(c2ccccc2)P2P(c3ccccc3)(c3ccccc3)=[N](c3ccccc3)[Ti]12(Oc1c(cccc1C)C)Oc1c(cccc1C)C.C(Cl)Cl |
| Title of publication | Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. |
| Authors of publication | Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 1 |
| Pages of publication | 253 - 269 |
| a | 11.7665 ± 0.0019 Å |
| b | 13.781 ± 0.002 Å |
| c | 20.643 ± 0.003 Å |
| α | 82.299 ± 0.004° |
| β | 86.711 ± 0.004° |
| γ | 80.965 ± 0.004° |
| Cell volume | 3273.7 ± 0.9 Å3 |
| Cell temperature | 115 K |
| Ambient diffraction temperature | 115 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 | 0.1179 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.14 |
| Weighted residual factors for all reflections included in the refinement | 0.1675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1560007.cif |
| 267045 | 2021-07-05 | cif/ Updating files of 1560000, 1560001, 1560002, 1560003, 1560004, 1560005, 1560006, 1560007, 1560008, 1560009, 1560010, 1560011, 1560012 Original log message: Adding full bibliography for 1560000--1560012.cif. |
1560007.cif |
| 260850 | 2021-01-08 | cif/ Adding structures of 1560000, 1560001, 1560002, 1560003, 1560004, 1560005, 1560006, 1560007, 1560008, 1560009, 1560010, 1560011, 1560012 via cif-deposit CGI script. |
1560007.cif |
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