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Information card for entry 1513657
Preview
Coordinates | 1513657.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H18 Cl1.5 N1.5 O24 V6 |
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Calculated formula | C21 H18 Cl1.5 N1.5 O24 V6 |
Title of publication | Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks |
Authors of publication | Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 3 |
Pages of publication | 927 |
a | 21.0482 ± 0.0014 Å |
b | 21.0482 ± 0.0014 Å |
c | 21.648 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9590.6 ± 1.6 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 6 |
Space group number | 85 |
Hermann-Mauguin space group symbol | P 4/n :2 |
Hall space group symbol | -P 4a |
Residual factor for all reflections | 0.1681 |
Residual factor for significantly intense reflections | 0.0842 |
Weighted residual factors for significantly intense reflections | 0.2089 |
Weighted residual factors for all reflections included in the refinement | 0.2371 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1513657.cif |
105100 | 2014-03-11 | cif/ Adding structures of 1513656, 1513657, 1513658, 1513659, 1513660 via cif-deposit CGI script. |
1513657.cif |
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Users of the data should acknowledge the original authors of the
structural data.