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Information card for entry 4078888
Preview
Coordinates | 4078888.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H34 B Cl3 N6 Ru S2 |
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Calculated formula | C24 H34 B Cl3 N6 Ru S2 |
SMILES | [Ru]123456([S]=c7n(ccn7[BH](n7c(=[S]1)n(cc7)C)n1nccc1)C)(Cl)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C.C(Cl)Cl |
Title of publication | Mixed-Sandwich (Cp*/(HMB))Ru Complexes Containing Bis(methimazolyl)(pyrazolyl)borate (Cp* = η5-C5Me5, HMB = η6-C6Me6) |
Authors of publication | Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 14 |
Pages of publication | 5159 |
a | 13.0005 ± 0.0007 Å |
b | 17.764 ± 0.0008 Å |
c | 13.2947 ± 0.0006 Å |
α | 90° |
β | 110.615 ± 0.001° |
γ | 90° |
Cell volume | 2873.7 ± 0.2 Å3 |
Cell temperature | 243 ± 2 K |
Ambient diffraction temperature | 243 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0843 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.1768 |
Weighted residual factors for all reflections included in the refinement | 0.1861 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
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/4078888.html
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