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Information card for entry 7114440
Preview
Coordinates | 7114440.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H106 F6 N6 Na2 O14 Ru6 Si |
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Calculated formula | C90 H106 F6 N6 Na2 O14 Ru6 Si |
SMILES | c12c3ccc[n]1[Ru]145678([c]9([cH]4[cH]5[c]6([cH]7[cH]89)C(C)C)C)[O]([Na]45)c6c(O1)ccc[n]6[Ru]16789%10([c]%11([cH]6[cH]7[c]8([cH]%10[cH]1%11)C(C)C)C)[O]4c1[n](cccc1O9)[Ru]14678([O]25)(O3)[c]2(C)[cH]1[cH]4[c]6([cH]7[cH]82)C(C)C.O.[Si](F)(F)(F)(F)([F-])[F-].c12c3ccc[n]1[Ru]145678([c]9([cH]4[cH]5[c]6([cH]7[cH]89)C(C)C)C)[O]([Na]45)c6c(O1)ccc[n]6[Ru]16789%10([c]%11([cH]6[cH]7[c]8([cH]%10[cH]1%11)C(C)C)C)[O]4c1[n](cccc1O9)[Ru]14678([O]25)(O3)[c]2(C)[cH]1[cH]4[c]6([cH]7[cH]82)C(C)C.O |
Title of publication | Encapsulation of molecular Na2SiF6 by two metallacrown complexes |
Authors of publication | Lehaire, Marie-Line; Scopelliti, Rosario; Severin, Kay |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 23 |
Pages of publication | 2766 |
a | 12.5292 ± 0.001 Å |
b | 29.415 ± 0.003 Å |
c | 13.0113 ± 0.0014 Å |
α | 90° |
β | 109.567 ± 0.009° |
γ | 90° |
Cell volume | 4518.3 ± 0.8 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2032 |
Residual factor for significantly intense reflections | 0.0717 |
Weighted residual factors for significantly intense reflections | 0.08 |
Weighted residual factors for all reflections included in the refinement | 0.1219 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.891 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7114440.html
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