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Information card for entry 2105950
Preview
Coordinates | 2105950.cif |
---|---|
Structure factors | 2105950.hkl |
Original IUCr paper | HTML |
Common name | 5 |
---|---|
Formula | C65.23 H92.91 Br2 Cd Fe2 N6 O23.23 |
Calculated formula | C65.228 H92.912 Br2 Cd Fe2 N6 O23.228 |
Title of publication | 3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials |
Authors of publication | Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 4 |
Pages of publication | 705 - 713 |
a | 12.2603 ± 0.0015 Å |
b | 13.356 ± 0.0016 Å |
c | 13.9326 ± 0.0016 Å |
α | 92.055 ± 0.002° |
β | 109.196 ± 0.002° |
γ | 105.345 ± 0.002° |
Cell volume | 2058.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.072 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.1457 |
Weighted residual factors for all reflections included in the refinement | 0.1567 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181878 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/59. |
2105950.cif 2105950.hkl |
180917 | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/59. |
2105950.cif 2105950.hkl |
176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105950.cif 2105950.hkl |
121038 | 2014-08-01 | cif/ hkl/ Adding structures of 2105945, 2105946, 2105947, 2105948, 2105949, 2105950, 2105951, 2105952 via cif-deposit CGI script. |
2105950.cif 2105950.hkl |
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.
Users of the data should acknowledge the original authors of the
structural data.