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Information card for entry 4314984
Preview
Coordinates | 4314984.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C126 H150 F18 Ir6 N6 O30 S6 |
---|---|
Calculated formula | C124 H150 F12 Ir6 N6 O24 S4 |
SMILES | FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].[n]12ccc(C3=C(O[Ir]4567([n]8ccc(cc8)C8=C(O[Ir]9%10%11%12([n]%13ccc(cc%13)C%13=C(C)O[Ir]%14%15%16%17([n]%18ccc(cc%18)C%18=C(O[Ir]%19%20%21%22([n]%23ccc(cc%23)C%23=C(O[Ir]%24%25%26%27([n]%28ccc(cc%28)C%28=C(C)O[Ir]%29%30%31%321([O]=C%28C)[c]1([c]%29([c]%30([c]%31([c]%321C)C)C)C)C)([O]=C%23C)[c]1([c]%24([c]%25([c]%26([c]%271C)C)C)C)C)C)([O]=C%18C)[c]1([c]%19([c]%20([c]%21([c]%221C)C)C)C)C)C)([O]=C%13C)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)([O]=C8C)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)C)([c]1([c]4(C)[c]5([c]6([c]71C)C)C)C)[O]=C3C)C)cc2.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
Title of publication | Two-Step Assembly of Multinuclear Metallacycles with Half-Sandwich Ir, Rh, and Ru Fragments for Counteranion Encapsulation |
Authors of publication | Guo-Liang Wang; Yue-Jian Lin; Heinz Berke; Guo-Xin Jin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 2193 - 2201 |
a | 47.034 ± 0.016 Å |
b | 11.708 ± 0.004 Å |
c | 35.107 ± 0.012 Å |
α | 90° |
β | 128.854 ± 0.004° |
γ | 90° |
Cell volume | 15055 ± 9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1094 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.1052 |
Weighted residual factors for all reflections included in the refinement | 0.1143 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.707 |
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/4314984.html
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