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Information card for entry 7030962
Preview
Coordinates | 7030962.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C92.5 H79 B4 Cl3.5 F4 Fe2 N14 O12 P2 S2 |
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Calculated formula | C89 H72 B4 F4 Fe2 N14 O12 P2 S2 |
SMILES | [Fe]12345[N]6O[B@]7(F)O[N]2=C(C(=[N]3O[B@](F)(O[N]1=C(NCCCCCNC1=[N]2[Fe]389%10[N](O[B@]%11(F)O[N]3=C(C(=[N]8O[B@](F)(O2)O[N]%10=C(C(=[N]9O%11)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)=C1P(=S)(c1ccccc1)c1ccccc1)C=6P(=S)(c1ccccc1)c1ccccc1)O[N]5=C(C(=[N]4O7)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[Fe]12345[N]6O[B@@]7(F)O[N]2=C(C(=[N]3O[B@@](F)(O[N]1=C(NCCCCCNC1=[N]2[Fe]389%10[N](O[B@@]%11(F)O[N]3=C(C(=[N]8O[B@@](F)(O2)O[N]%10=C(C(=[N]9O%11)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)=C1P(=S)(c1ccccc1)c1ccccc1)C=6P(=S)(c1ccccc1)c1ccccc1)O[N]5=C(C(=[N]4O7)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Clathrochelates meet phosphorus: thiophosphorylation of Fe(ii) dichloroclathrochelate precursor, synthesis of N,S-donor macrobicyclic ligands and their Pd(ii) complexes as potent catalysts of Suzuki cross-coupling reaction. |
Authors of publication | Artyushin, Oleg I.; Odinets, Irina L.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Varzatskii, Oleg A.; Lyubimov, Sergey E.; Voloshin, Yan Z. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 25 |
Pages of publication | 9677 - 9689 |
a | 11.892 ± 0.006 Å |
b | 19.945 ± 0.01 Å |
c | 24.004 ± 0.013 Å |
α | 113.552 ± 0.01° |
β | 102.415 ± 0.012° |
γ | 90.045 ± 0.012° |
Cell volume | 5073 ± 5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 10 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1638 |
Residual factor for significantly intense reflections | 0.078 |
Weighted residual factors for significantly intense reflections | 0.1469 |
Weighted residual factors for all reflections included in the refinement | 0.1702 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.834 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7030962.html
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