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Information card for entry 7031690
Preview
Coordinates | 7031690.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H23 B2 Bi N24 O2 S6 |
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Calculated formula | C14 H23 B2 Bi N24 O2 S6 |
SMILES | [Bi]1234([S]=C5N(N=NN5C)[BH](N5N=NN(C5=[S]1)C)N1N=NN(C1=[S]2)C)([S]=C1N(N=NN1C)[BH](N1N=NN(C1=[S]3)C)N1N=NN(C1=S)C)OC(=[O]4)C |
Title of publication | Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions. |
Authors of publication | Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 39 |
Pages of publication | 14737 - 14748 |
a | 16.5137 ± 0.0003 Å |
b | 11.80455 ± 0.00011 Å |
c | 19.3087 ± 0.0002 Å |
α | 90° |
β | 104.413 ± 0.0014° |
γ | 90° |
Cell volume | 3645.5 ± 0.09 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0372 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0802 |
Weighted residual factors for all reflections included in the refinement | 0.0829 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.7107 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/7031690.html
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Users of the data should acknowledge the original authors of the
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