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Information card for entry 7218975
Preview
Coordinates | 7218975.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2-amino-5-nitropyridine:chloroacetic acid |
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Chemical name | 2-amino-5-nitropyridine:chloroacetic acid |
Formula | C7 H8 Cl N3 O4 |
Calculated formula | C7 H8 Cl N3 O4 |
Title of publication | Experimental validation of 'pnicogen bonding' in nitrogen by charge density analysis. |
Authors of publication | Sarkar, Sounak; Pavan, Mysore S.; Guru Row, T. N. |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 4 |
Pages of publication | 2330 - 2334 |
a | 4.8198 ± 0.0001 Å |
b | 21.7824 ± 0.0003 Å |
c | 9.3616 ± 0.0002 Å |
α | 90° |
β | 104.264 ± 0.002° |
γ | 90° |
Cell volume | 952.54 ± 0.03 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.035 |
Residual factor for significantly intense reflections | 0.025 |
Weighted residual factors for all reflections included in the refinement | 0.045 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180520 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/89. |
7218975.cif |
131134 | 2015-02-04 | cif/ Updating files of 7218975 Original log message: Adding full bibliography for 7218975.cif. |
7218975.cif |
128042 | 2014-12-02 | cif/ Adding structures of 7218975 via cif-deposit CGI script. |
7218975.cif |
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Users of the data should acknowledge the original authors of the
structural data.