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Information card for entry 4505247
Preview
| Coordinates | 4505247.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | diaqua(15-crown-5)iron(II) nitrate |
|---|---|
| Formula | C10 H24 Fe N2 O13 |
| Calculated formula | C10 H24 Fe N2 O13 |
| Title of publication | [M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases† |
| Authors of publication | Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2005 |
| Journal volume | 5 |
| Journal issue | 6 |
| Pages of publication | 2225 |
| a | 14.521 ± 0.001 Å |
| b | 14.229 ± 0.001 Å |
| c | 68.443 ± 0.003 Å |
| α | 90° |
| β | 96.26 ± 0.01° |
| γ | 90° |
| Cell volume | 14057.3 ± 1.5 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | B 1 21 1 |
| Hall space group symbol | P 2yb (1/2*x,y,-1/2*x+z) |
| Residual factor for all reflections | 0.1222 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179587 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/52. |
4505247.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505247.cif |
| 50228 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4505241, 4505242, 4505243, 4505244, 4505245, 4505246, 4505247, 4505248, 4505249 via cif-deposit CGI script. |
4505247.cif |
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Users of the data should acknowledge the original authors of the
structural data.