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Information card for entry 4071842
Preview
Coordinates | 4071842.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C136 H124 F18 N12 O30 Ru6 S6 |
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Calculated formula | C136 H124 F18 N12 O30 Ru6 S6 |
SMILES | c1cc2cc[n]1[Ru]134567([c]8([cH]6[cH]5[c]4([cH]3[cH]18)C(C)C)C)Oc1c(cc3c(c1)O[Ru]14568([c]9([cH]8[cH]6[c]5([cH]4[cH]19)C(C)C)C)([n]1ccc(cc1)c1nc4c5cc[n](cc5)[Ru]5689%10%11([c]%12(C)[cH]5[cH]6[c]8([cH]9[cH]%10%12)C(C)C)Oc5c(cc6c(c5)O[Ru]589%10%12([c]%13([cH]5[cH]8[c]9([cH]%10[cH]%12%13)C(C)C)C)([n]5ccc(c8nc2nc(c2cc[n](cc2)[Ru]29%10%12%13%14([c]%15([cH]%13[cH]%12[c]%10([cH]9[cH]2%15)C(C)C)C)Oc2c(cc9c(c2)O[Ru]2%10%12%13%15([c]%16([cH]2[cH]%10[c]%12([cH]%13[cH]%15%16)C(C)C)C)([n]2ccc(c(n4)n1)cc2)O9)O%14)n8)cc5)O6)O%11)O3)O7.c12c3c(ccc1)ccc1c3c(cc2)ccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Encapsulation of Aromatic Molecules in Hexanuclear Arene Ruthenium Cages: A Strategy to Build Up Organometallic Carceplex Prisms with a Dangling Arm Standing Out |
Authors of publication | Mattsson, Johan; Govindaswamy, Padavattan; Furrer, Julien; Sei, Yoshihisa; Yamaguchi, Kentaro; Süss-Fink, Georg; Therrien, Bruno |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 17 |
Pages of publication | 4346 |
a | 18.7817 ± 0.001 Å |
b | 19.361 ± 0.0009 Å |
c | 26.7142 ± 0.0013 Å |
α | 74.084 ± 0.004° |
β | 85.777 ± 0.004° |
γ | 62.672 ± 0.003° |
Cell volume | 8283.6 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1747 |
Residual factor for significantly intense reflections | 0.1279 |
Weighted residual factors for significantly intense reflections | 0.3357 |
Weighted residual factors for all reflections included in the refinement | 0.3672 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.203 |
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/4071842.html
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