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Information card for entry 7011451
Preview
Coordinates | 7011451.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H8 B Br9 N6 Pd |
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Calculated formula | C13 H8 B Br9 N6 Pd |
SMILES | [Pd]123([n]4n([BH](n5[n]1c(Br)c(Br)c5Br)n1nc(Br)c(Br)c1Br)c(Br)c(Br)c4Br)C[C]2(=[CH2]3)C |
Title of publication | Novel scorpionate ligands devoid of C‒H bonds: BpBr3 and TpBr3 |
Authors of publication | Rheingold, Arnold L.; Liable-Sands, Louise M.; Incarvito, Christopher L.; Trofimenko, Swiatoslaw |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 11 |
Pages of publication | 2297 |
a | 10.1589 ± 0.0003 Å |
b | 10.4504 ± 0.0003 Å |
c | 12.6714 ± 0.0003 Å |
α | 101.967 ± 0.002° |
β | 92.483 ± 0.002° |
γ | 104.979 ± 0.002° |
Cell volume | 1264.6 ± 0.06 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0557 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0875 |
Weighted residual factors for all reflections included in the refinement | 0.095 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/7011451.html
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