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Information card for entry 4001079
Preview
| Coordinates | 4001079.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C101 H90 Fe6 O28 |
|---|---|
| Calculated formula | C80 H66 Fe6 O28 |
| SMILES | CC1=[O][Fe]2345O(C(=C1)C)[Fe]167([O]5[Fe]58([O]=C(O2)c2ccccc2)(OC(=[O]3)c2ccccc2)[O]=C(O[Fe]23([OH2]8)([O]8[Fe]9([OH2]6)([O]=C(O1)c1ccccc1)(OC(=[O]7)c1ccccc1)OC(=[O][Fe]18([O]3C(=CC(=[O]1)C)C)([O]=C(O9)c1ccccc1)OC(=[O]2)c1ccccc1)c1ccccc1)[O]=C(O5)c1ccccc1)c1ccccc1)[O]=C(O4)c1ccccc1 |
| Title of publication | Nanostructured α-Fe2O3Thin Films for Photoelectrochemical Hydrogen Generation |
| Authors of publication | Tahir, Asif Ali; Wijayantha, K. G. Upul; Saremi-Yarahmadi, Sina; Mazhar, Muhammad; McKee, Vickie |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2009 |
| Journal volume | 21 |
| Journal issue | 16 |
| Pages of publication | 3763 |
| a | 14.0386 ± 0.0013 Å |
| b | 14.1668 ± 0.0013 Å |
| c | 16.2804 ± 0.0015 Å |
| α | 90.891 ± 0.002° |
| β | 106.262 ± 0.001° |
| γ | 112.27 ± 0.001° |
| Cell volume | 2849.4 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0539 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1143 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001079.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001079.cif |
| 40892 | 2012-03-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4001079 via cif-deposit CGI script. |
4001079.cif |
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