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Information card for entry 7033700
Preview
Coordinates | 7033700.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H58 B Cl3 F6 N O4 P5 Ru |
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Calculated formula | C60 H58 B Cl3 F6 N O4 P5 Ru |
SMILES | [B]12([N](CC(=O)O1)(CC(=O)O2)C)C=C=[Ru]12(Cl)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe. |
Authors of publication | Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 12 |
Pages of publication | 5713 - 5726 |
a | 13.1367 ± 0.0008 Å |
b | 14.1164 ± 0.0008 Å |
c | 16.236 ± 0.0007 Å |
α | 86.068 ± 0.003° |
β | 73.777 ± 0.003° |
γ | 87.542 ± 0.003° |
Cell volume | 2883.3 ± 0.3 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1049 |
Residual factor for significantly intense reflections | 0.0582 |
Weighted residual factors for all reflections | 0.1483 |
Weighted residual factors for significantly intense reflections | 0.1239 |
Weighted residual factors for all reflections included in the refinement | 0.1483 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9672 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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