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Information card for entry 7053549
Preview
Coordinates | 7053549.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H15 N O5 |
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Calculated formula | C14 H15 N O5 |
SMILES | [NH2+](Cc1c(O)ccc2c(cc(=O)oc12)C)[C@@H](C)C(=O)[O-] |
Title of publication | Alkali metal ion directed self-assembled Ni(ii) molecular clusters |
Authors of publication | Leong, Wei Lee; Vittal, Jagadese J. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 10 |
Pages of publication | 2145 |
a | 5.3583 ± 0.0005 Å |
b | 5.8497 ± 0.0006 Å |
c | 10.4352 ± 0.001 Å |
α | 88.144 ± 0.002° |
β | 75.461 ± 0.002° |
γ | 82.331 ± 0.002° |
Cell volume | 313.78 ± 0.05 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0398 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.1007 |
Weighted residual factors for all reflections included in the refinement | 0.1018 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180089 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/35. |
7053549.cif |
93716 | 2014-01-13 | cif/ Adding structures of 7053548, 7053549, 7053550, 7053551, 7053552 via cif-deposit CGI script. |
7053549.cif |
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Users of the data should acknowledge the original authors of the
structural data.