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Information card for entry 7119593
Preview
| Coordinates | 7119593.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C61 H101 K N2 O7 P2 Si |
|---|---|
| Calculated formula | C61 H101 K N2 O7 P2 Si |
| Title of publication | An unprecedented 1,4-diphospha-2,3-disila butadiene (-P[double bond, length as m-dash]Si-Si[double bond, length as m-dash]P-) derivative and a 1,3-diphospha-2-silaallyl anion, each stabilized by the amidinate ligand. |
| Authors of publication | Kundu, Subrata; Mohapatra, Chandrajeet; Samuel, Prinson P.; Kretsch, Johannes; Walawalkar, M. G.; Herbst-Irmer, Regine; Stalke, Dietmar; De, Sriman; Koley, Debasis; Roesky, Herbert W. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 53 |
| Journal issue | 1 |
| Pages of publication | 192 - 195 |
| a | 10.771 ± 0.003 Å |
| b | 13.848 ± 0.003 Å |
| c | 22.433 ± 0.005 Å |
| α | 101.05 ± 0.01° |
| β | 103.86 ± 0.01° |
| γ | 100.66 ± 0.01° |
| Cell volume | 3093.4 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.0813 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.56086 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7119593.cif |
| 191436 | 2017-02-04 | cif/ Adding structures of 7119592, 7119593 via cif-deposit CGI script. |
7119593.cif |
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Users of the data should acknowledge the original authors of the
structural data.