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Information card for entry 4101822
Preview
| Coordinates | 4101822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H5 Fe O7 |
|---|---|
| Calculated formula | C8 Fe O7 |
| Title of publication | Functionalization in Flexible Porous Solids: Effects on the Pore Opening and the Host-Guest Interactions |
| Authors of publication | Thomas Devic; Patricia Horcajada; Christian Serre; Fabrice Salles; Guillaume Maurin; Béatrice Moulin; Daniela Heurtaux; Guillaume Clet; Alexandre Vimont; Jean-Marc Grenèche; Benjamin Le Ouay; Florian Moreau; Emmanuel Magnier; Yaroslav Filinchuk; Jerôme Marrot; Jean-Claude Lavalley; Marco Daturi; Gérard Férey |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 1127 - 1136 |
| a | 17.841 ± 0.004 Å |
| b | 6.8729 ± 0.0015 Å |
| c | 11.839 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1451.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 74 |
| Hermann-Mauguin space group symbol | I m m a |
| Hall space group symbol | -I 2b 2 |
| Residual factor for all reflections | 0.1149 |
| Residual factor for significantly intense reflections | 0.0734 |
| Weighted residual factors for significantly intense reflections | 0.227 |
| Weighted residual factors for all reflections included in the refinement | 0.2455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178764 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/18. |
4101822.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4101822.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101822.cif |
| 24641 | 2011-09-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4101822 via cif-deposit CGI script. |
4101822.cif |
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Users of the data should acknowledge the original authors of the
structural data.