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Information card for entry 4509645
Preview
Coordinates | 4509645.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H62 N8 O10 S2 |
---|---|
Calculated formula | C42 H62 N8 O10 S2 |
Title of publication | Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks |
Authors of publication | Soegiarto, Airon C.; Ward, Michael D. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 8 |
Pages of publication | 3803 |
a | 7.3931 ± 0.0002 Å |
b | 26.6667 ± 0.0008 Å |
c | 11.7311 ± 0.0003 Å |
α | 90° |
β | 102.382 ± 0.001° |
γ | 90° |
Cell volume | 2258.99 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0491 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.1102 |
Weighted residual factors for all reflections included in the refinement | 0.1123 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179632 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/96. |
4509645.cif |
97421 | 2014-01-29 | cif/ Adding structures of 4509645 via cif-deposit CGI script. |
4509645.cif |
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Users of the data should acknowledge the original authors of the
structural data.