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Information card for entry 4334009
Preview
Coordinates | 4334009.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H44 Ag F3 N4 O4 S |
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Calculated formula | C40 H40 Ag F3 N4 O4 S |
SMILES | CO.[Ag]123[NH]4CC[N]1(CC[NH]3CC[N]2(Cc1c2c(cc3c1cccc3)cccc2)CC4)Cc1c2c(cc3c1cccc3)cccc2.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution |
Authors of publication | Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 2542 - 2549 |
a | 10.1283 ± 0.0007 Å |
b | 19.0025 ± 0.0014 Å |
c | 19.4108 ± 0.0014 Å |
α | 90° |
β | 94.619 ± 0.001° |
γ | 90° |
Cell volume | 3723.7 ± 0.5 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0501 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1179 |
Weighted residual factors for all reflections included in the refinement | 0.1207 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179443 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/40. |
4334009.cif |
99819 | 2014-02-03 | cif/ Adding structures of 4334009 via cif-deposit CGI script. |
4334009.cif |
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Users of the data should acknowledge the original authors of the
structural data.