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Information card for entry 4078886
Preview
Coordinates | 4078886.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H29 B N6 Ru S2 |
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Calculated formula | C21 H29 B N6 Ru S2 |
SMILES | [Ru]12345([S]=c6n([BH](n7c(=[S]1)n(cc7)C)n1nccc1)ccn6C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
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 | 11.2294 ± 0.0007 Å |
b | 15.0839 ± 0.001 Å |
c | 14.5169 ± 0.0009 Å |
α | 90° |
β | 107.908 ± 0.001° |
γ | 90° |
Cell volume | 2339.8 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0651 |
Residual factor for significantly intense reflections | 0.0578 |
Weighted residual factors for significantly intense reflections | 0.158 |
Weighted residual factors for all reflections included in the refinement | 0.1643 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4078886.html
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Users of the data should acknowledge the original authors of the
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