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Information card for entry 2105496
Preview
Coordinates | 2105496.cif |
---|---|
Original IUCr paper | HTML |
Formula | C6 H8 Fe O8 |
---|---|
Calculated formula | C6 H8 Fe O8 |
SMILES | [Fe]123([OH]C(C(=O)O1)(CC(=O)O2)CC(=O)O)([OH2])[O]1[Fe]24([OH]C(C1=O)(CC(=O)O2)CC(=O)O)([OH2])[O]1[Fe]2([OH]C(C1=[O]3)(CC(=O)O2)CC(=O)O)([OH2])[O]1[Fe]2([OH]C(C1=[O]4)(CC(=O)O2)CC(=O)O)[OH2] |
Title of publication | Structure and magnetic properties of a new iron(II) citrate coordination polymer |
Authors of publication | Birsa Čelič, Tadeja; Jagličič, Zvonko; Lazar, Karoly; Zabukovec Logar, Nataša |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 5 |
Pages of publication | 490 - 495 |
a | 5.947 ± 0.0004 Å |
b | 10.4021 ± 0.0005 Å |
c | 13.5773 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 839.91 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.039 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.1019 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.81 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176768 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105496.cif |
89533 | 2013-11-06 | cif/ Adding structures of 2105496 via cif-deposit CGI script. |
2105496.cif |
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Users of the data should acknowledge the original authors of the
structural data.