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Information card for entry 7015510
Preview
Coordinates | 7015510.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H17 Br2 In N4 O S |
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Calculated formula | C11 H17 Br2 In N4 O S |
SMILES | [In]12([N](N=C(S1)N(C)C)=C(c1[n]2cccc1)C)(Br)(Br)[OH]C |
Title of publication | Indium(III), antimony(III) and bismuth(III) dihalide complexes with tridentate, anionic thio- and selenosemicarbazonato ligands. |
Authors of publication | Molter, Anja; Mohr, Fabian |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 14 |
Pages of publication | 3754 - 3758 |
a | 7.184 ± 0.0004 Å |
b | 10.0281 ± 0.0006 Å |
c | 12.6768 ± 0.0007 Å |
α | 81.442 ± 0.005° |
β | 74.886 ± 0.005° |
γ | 71.157 ± 0.005° |
Cell volume | 832.33 ± 0.09 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0602 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.0987 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179859 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55. |
7015510.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015510.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015510.cif |
21178 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015509, 7015510, 7015511, 7015512 via cif-deposit CGI script. |
7015510.cif |
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Users of the data should acknowledge the original authors of the
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