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Information card for entry 7038740
Preview
Coordinates | 7038740.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H108 F12 Ir4 N8 O16 S4 |
---|---|
Calculated formula | C80 H108 F12 Ir4 N8 O16 S4 |
SMILES | c1[n]2c(ccc1)C1=C3C(=O)O[Ir]45671([n]1cc[n](cc1)[Ir]189%10%11(C%12=C(c%13cccc[n]1%13)[Ir]1%13%14%15([n]%16cc[n]([Ir]%17%18%19%2023[c]2([c]%20([c]%19([c]%18([c]%172C)C)C)C)C)cc%16)(OC%12=O)[c]2([c]1([c]%13([c]%14([c]%152C)C)C)C)C)[c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(S(=O)(=O)[O-])(F)F.[NH+](CC)(CC)CC.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].[NH+](CC)(CC)CC |
Title of publication | Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation. |
Authors of publication | Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 16 |
Pages of publication | 7014 - 7021 |
a | 14.728 ± 0.015 Å |
b | 14.785 ± 0.016 Å |
c | 15.17 ± 0.03 Å |
α | 117.078 ± 0.017° |
β | 91.549 ± 0.016° |
γ | 117.8 ± 0.012° |
Cell volume | 2479 ± 6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1091 |
Residual factor for significantly intense reflections | 0.0804 |
Weighted residual factors for significantly intense reflections | 0.2282 |
Weighted residual factors for all reflections included in the refinement | 0.2633 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
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/7038740.html
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