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Information card for entry 4335327
Preview
Coordinates | 4335327.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H51 Ir3 S6 |
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Calculated formula | C48 H51 Ir3 S6 |
SMILES | [Ir]12345(Sc6c(S1)cc1c(c7cc8S[Ir]9%10%11%12(Sc8cc7c7cc8S[Ir]%13%14%15%16(Sc8cc17)[c]1(C)[c]%13([c]%14([c]%15([c]%161C)C)C)C)[c]1([c]%12(C)[c]%11([c]%10([c]91C)C)C)C)c6)[c]1([c]3(C)[c]2([c]5(C)[c]41C)C)C |
Title of publication | π-Conjugated Trinuclear Group-9 Metalladithiolenes with a Triphenylene Backbone |
Authors of publication | Ryota Sakamoto; Tetsuya Kambe; Satoru Tsukada; Kenji Takada; Ken Hoshiko; Yasutaka Kitagawa; Mitsutaka Okumura; Hiroshi Nishihara |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 7411 - 7416 |
a | 26.94 ± 0.005 Å |
b | 12.806 ± 0.002 Å |
c | 34.583 ± 0.006 Å |
α | 90° |
β | 92.678 ± 0.003° |
γ | 90° |
Cell volume | 11918 ± 4 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 4 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for significantly intense reflections | 0.0922 |
Weighted residual factors for all reflections included in the refinement | 0.278 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
Diffraction radiation wavelength | 0.71075 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/4335327.html
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