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Information card for entry 4507258
Preview
Coordinates | 4507258.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46.5 H36.5 Ag3 N6 |
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Calculated formula | C46.5 H33 Ag3 N6 |
Title of publication | Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers |
Authors of publication | Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 1 |
Pages of publication | 264 |
a | 11.806 ± 0.007 Å |
b | 13.182 ± 0.008 Å |
c | 14.862 ± 0.009 Å |
α | 100.076 ± 0.007° |
β | 101.519 ± 0.007° |
γ | 107.103 ± 0.007° |
Cell volume | 2098 ± 2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0441 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.1093 |
Weighted residual factors for all reflections included in the refinement | 0.1155 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4507258.cif |
107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4507258.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4507258.cif |
73867 | 2013-02-21 | cif/ Adding structures of 4507258 via cif-deposit CGI script. |
4507258.cif |
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Users of the data should acknowledge the original authors of the
structural data.