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Information card for entry 1508036
Preview
Coordinates | 1508036.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 7a |
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Formula | C98 H81 B F24 Fe N O3 P3 Si |
Calculated formula | C98 H81 B F24 Fe N O3 P3 Si |
SMILES | [Fe]123([NH3])[P](c4c([Si]3(c3c([P]1(c1ccccc1)c1ccccc1)cccc3)c1c([P]2(c2ccccc2)c2ccccc2)cccc1)cccc4)(c1ccccc1)c1ccccc1.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.O1CCCC1.O1CCCC1.O1CCCC1 |
Title of publication | Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. |
Authors of publication | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. |
Journal of publication | Nature chemistry |
Year of publication | 2010 |
Journal volume | 2 |
Journal issue | 7 |
Pages of publication | 558 - 565 |
a | 13.2539 ± 0.0003 Å |
b | 16.3059 ± 0.0003 Å |
c | 21.3757 ± 0.0004 Å |
α | 90° |
β | 90.561 ± 0.001° |
γ | 90° |
Cell volume | 4619.43 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.0336 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0911 |
Weighted residual factors for all reflections included in the refinement | 0.0915 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1508036.html
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