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Information card for entry 4512099
Preview
Coordinates | 4512099.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 6 in manuscript |
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Formula | C38 H47 Br3 N2 Si2 |
Calculated formula | C38 H47 Br3 N2 Si2 |
Title of publication | Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals? |
Authors of publication | Porz, Michael; Rominger, Frank; Bunz, Uwe H. F. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 11 |
Pages of publication | 5962 |
a | 35.2753 ± 0.0013 Å |
b | 15.2226 ± 0.0005 Å |
c | 14.7459 ± 0.0005 Å |
α | 90° |
β | 104.246 ± 0.001° |
γ | 90° |
Cell volume | 7674.8 ± 0.5 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0956 |
Residual factor for significantly intense reflections | 0.0659 |
Weighted residual factors for significantly intense reflections | 0.1383 |
Weighted residual factors for all reflections included in the refinement | 0.1526 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179667 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/20. |
4512099.cif |
126827 | 2014-11-11 | cif/ Updating files of 4512096, 4512097, 4512098, 4512099 Original log message: Adding full bibliography for 4512096--4512099.cif. |
4512099.cif |
124967 | 2014-10-07 | cif/ Adding structures of 4512096, 4512097, 4512098, 4512099 via cif-deposit CGI script. |
4512099.cif |
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Users of the data should acknowledge the original authors of the
structural data.