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Information card for entry 7040042
Preview
Coordinates | 7040042.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C79 H101 F12 N11 O24 Rh4 S4 |
---|---|
Calculated formula | C77 H86 F12 N10 O24 Rh4 S4 |
SMILES | [Rh]123456([n]7ccc(cc7)C(=O)NN=Cc7cc[n]([Rh]89%10%11%12([O]=C%13O[Rh]%14%15%16%17([n]%18ccc(C(=O)NN=Cc%19cc[n]([Rh]%20%21%22%23%24(OC(=[O]2)C(=[O]1)O%20)[c]1([c]%21([c]%22([c]%23([c]%241C)C)C)C)C)cc%19)cc%18)(OC%13=[O]8)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)cc7)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.O=S(=O)([O-])C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.C(#N)C.C(#N)C.CO.O |
Title of publication | Self-assembled half-sandwich polyhedral cages via flexible Schiff-base ligands: an unusual macrocycle-to-cage conversion. |
Authors of publication | Liu, Jing-Jing; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 35 |
Pages of publication | 13675 - 13679 |
a | 14.4394 ± 0.0011 Å |
b | 24.988 ± 0.0019 Å |
c | 27.232 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9825.6 ± 1.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0777 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1173 |
Weighted residual factors for all reflections included in the refinement | 0.1284 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
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/7040042.html
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