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Information card for entry 7106594
Preview
Coordinates | 7106594.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H27 B10 Br N2 Pt |
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Calculated formula | C27 H27 B10 Br N2 Pt |
SMILES | [Pt]12([n]3c(c4[n]1cccc4)ccc(c3[C]1345[BH]678[BH]9%10%11[BH]%1248[BH]48%11[BH]%11%139[BH]96%10[BH]6%10%11[B]%1121([BH]4%136[C]5%128%11C)[BH]379%10)c1ccc(Br)cc1)C#Cc1ccccc1 |
Title of publication | 2,2'-Bipyridinyl carboranes as B,N,N-ligands in cyclometallated complexes of platinum(II) |
Authors of publication | Anton M. Prokhorov; Pavel A. Slepukhin; Vladimir L. Rusinov; Valery N. Kalinin; Dmitry N. Kozhevnikov |
Journal of publication | Chem.Commun. |
Year of publication | 2011 |
Journal volume | 47 |
Pages of publication | 7713 |
a | 17.4108 ± 0.0004 Å |
b | 16.0201 ± 0.0009 Å |
c | 21.0923 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5883.1 ± 0.5 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0689 |
Residual factor for significantly intense reflections | 0.0255 |
Weighted residual factors for significantly intense reflections | 0.0359 |
Weighted residual factors for all reflections included in the refinement | 0.0373 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
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/7106594.html
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