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Information card for entry 4060798
Preview
Coordinates | 4060798.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H32 B10 Ir P S |
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Calculated formula | C22 H32 B10 Ir P S |
SMILES | [Ir]1234(S[C]5678[C]9%10%11([P]1(c1ccccc1)c1ccccc1)[BH]1%125[BH]5%136[BH]6%147[BH]789[BH]89%14[BH]%1456[BH]5%12%13[BH]6%101[BH]%1178[BH]9%1456)[CH]1=[CH]2CC[CH]3=[CH]4CC1 |
Title of publication | Rhodium and Iridium Phosphinothiolato Complexes. Synthesis and Crystal Structures of Mononuclear [M(cod)(S,P-SC~2~B~10~H~10~PPh~2~)] and Dinuclear [M~2~(CO)~2~(S,P-μ-SC~2~B~10~H~10~PPh~2~)] (M = Rh, Ir) and Their Performance in Catalytic Carbonylation |
Authors of publication | Lee, Heung-Sae; Bae, Jin-Young; Kim, Dae-Hyun; Kim, Hoon Sik; Kim, Sung-Joon; Cho, Sungil; Ko, Jaejung; Kang, Sang Ook |
Journal of publication | Organometallics |
Year of publication | 2002 |
Journal volume | 21 |
Journal issue | 1 |
Pages of publication | 210 - 219 |
a | 12.6869 ± 0.001 Å |
b | 11.101 ± 0.0006 Å |
c | 18.7413 ± 0.001 Å |
α | 90° |
β | 99.366 ± 0.006° |
γ | 90° |
Cell volume | 2604.3 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0373 |
Residual factor for significantly intense reflections | 0.0235 |
Weighted residual factors for significantly intense reflections | 0.0733 |
Weighted residual factors for all reflections included in the refinement | 0.0861 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.703 |
Diffraction radiation wavelength | 0.7107 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/4060798.html
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