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Information card for entry 1512434
Preview
Coordinates | 1512434.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H8 Cd Cl N3 O2 |
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Calculated formula | C10 H8 Cd Cl N3 O2 |
Title of publication | Four novel coordination compounds containing Hpypza ligand [Hpypza = [3-(2-pyridyl)-1-pyrazolyl] acetic acid] |
Authors of publication | Jie Yang; Lei Shen; Gao-Wen Yang; Qiao-Yun Li; Liu-Liu Zhu; Wei Shen; Cheng Ji; Xiao-Feng Shen |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2012 |
Journal volume | 392 |
Pages of publication | 25 - 29 |
a | 7.9609 ± 0.0016 Å |
b | 8.7317 ± 0.0017 Å |
c | 9.0662 ± 0.0018 Å |
α | 88.48 ± 0.03° |
β | 75.85 ± 0.03° |
γ | 70.57 ± 0.03° |
Cell volume | 575.3 ± 0.2 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0303 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0759 |
Weighted residual factors for all reflections included in the refinement | 0.0771 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.194 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512434.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512434.cif |
89363 | 2013-10-24 | cif/ Adding structures of 1512434 via cif-deposit CGI script. |
1512434.cif |
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Users of the data should acknowledge the original authors of the
structural data.