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Information card for entry 4314986
Preview
Coordinates | 4314986.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H92 F12 Ir4 N4 O20 S4 |
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Calculated formula | C80 H92 F12 Ir4 N4 O20 S4 |
SMILES | FC(S(=O)(=O)[O-])(F)F.[c]12([c]3([c]4([c]5([c]1(C)[Ir]162345[n]2ccc(C3=CC(C)=[O][Ir]4578([n]9ccc(C%10=CC(C)=[O][Ir]%11%12%13%14([n]%15ccc(C%16=CC(C)=[O][Ir]%17%18%19%20([n]%21ccc(C(C=C(C)O1)=[O]6)cc%21)(O%16)[c]1([c]%17([c]%18([c]%19([c]%201C)C)C)C)C)cc%15)(O%10)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)cc9)(O3)[c]1([c]4([c]5([c]7([c]81C)C)C)C)C)cc2)C)C)C)C.FC(F)(F)S(=O)(=O)[O-].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 | 19.715 ± 0.012 Å |
b | 19.715 ± 0.012 Å |
c | 12.65 ± 0.011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4917 ± 6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 86 |
Hermann-Mauguin space group symbol | P 42/n :2 |
Hall space group symbol | -P 4bc |
Residual factor for all reflections | 0.1389 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1041 |
Weighted residual factors for all reflections included in the refinement | 0.1255 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.803 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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