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Information card for entry 2021050
Preview
Coordinates | 2021050.cif |
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Structure factors | 2021050.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[μ~2~-aqua-triaqua{μ~4~-5-[4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato}{μ~3~-5-[4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato}dicobalt(II)] |
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Formula | C32 H28 Co2 O18 |
Calculated formula | C32 H28 Co2 O18 |
Title of publication | A three-dimensional twofold interpenetrated cobalt(II) MOF containing a flexible carboxylate-based ligand: synthesis, structure and magnetic properties |
Authors of publication | An, Yan-Yan; Lu, Li-Ping; Zhu, Miao-Li |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 4 |
a | 10.7964 ± 0.0005 Å |
b | 10.9649 ± 0.0006 Å |
c | 14.3692 ± 0.0007 Å |
α | 96.412 ± 0.002° |
β | 110.682 ± 0.002° |
γ | 92.9 ± 0.002° |
Cell volume | 1574.03 ± 0.14 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0282 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0661 |
Weighted residual factors for all reflections included in the refinement | 0.0678 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
206837 (current) | 2018-03-08 | cif/ hkl/ Adding structures of 2021050 via cif-deposit CGI script. |
2021050.cif 2021050.hkl |
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Users of the data should acknowledge the original authors of the
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