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Information card for entry 7010582
Preview
Coordinates | 7010582.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H39 B9 N2 O W |
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Calculated formula | C18 H39 B9 N2 O W |
SMILES | [W]1234(Oc5c(cccc5C)C)(=NC(C)(C)C)(NC(C)(C)C)[CH]567[CH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]281[BH]179[BH]634[BH]5%1121 |
Title of publication | Tungsten(VI) metallacarborane imido complexes; hydrogen bonding to a bent imido ligand in {W(NtBu)2[N(H)C(Me)NHtBu](C2B9H11)} † |
Authors of publication | Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Wade, Ken |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 8 |
Pages of publication | 1210 |
a | 11.053 ± 0.002 Å |
b | 11.859 ± 0.002 Å |
c | 20.074 ± 0.004 Å |
α | 90° |
β | 90.016 ± 0.004° |
γ | 90° |
Cell volume | 2631.3 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0252 |
Residual factor for significantly intense reflections | 0.0184 |
Weighted residual factors for all reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.0365 |
Goodness-of-fit parameter for all reflections | 1.145 |
Goodness-of-fit parameter for significantly intense reflections | 1.135 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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