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Information card for entry 2105056
Preview
Coordinates | 2105056.cif |
---|---|
Structure factors | 2105056.hkl |
Original IUCr paper | HTML |
Formula | C6 H7 Br2 O7 Rb |
---|---|
Calculated formula | C6 H7 Br2 O7 Rb |
Title of publication | Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid |
Authors of publication | Molčanov, Krešimir; Kojić-Prodić, Biserka |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 1 |
Pages of publication | 57 - 65 |
a | 18.6351 ± 0.0001 Å |
b | 18.6351 ± 0.0001 Å |
c | 6.528 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2267 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 86 |
Hermann-Mauguin space group symbol | P 42/n :2 |
Hall space group symbol | -P 4bc |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for all reflections included in the refinement | 0.1363 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.205 |
Diffraction radiation wavelength | 1.54179 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
180909 (current) | 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 2/10/50. |
2105056.cif 2105056.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. |
2105056.cif 2105056.hkl |
125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2105056.cif 2105056.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2105056.cif 2105056.hkl |
66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2105056.cif 2105056.hkl |
38253 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2105053, 2105054, 2105055, 2105056, 2105057, 2105058 via cif-deposit CGI script. |
2105056.cif |
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Users of the data should acknowledge the original authors of the
structural data.