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Information card for entry 4341969
Preview
| Coordinates | 4341969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H76 F3 Gd Mn3 N10 O20 S |
|---|---|
| Calculated formula | C76 H76 F3 Gd Mn3 N10 O20 S |
| Title of publication | Investigations of the Effect of the Non-Manganese Metal in Heterometallic-Oxido Cluster Models of the Oxygen Evolving Complex of Photosystem II: Lanthanides as Substitutes for Calcium. |
| Authors of publication | Lin, Po-Heng; Takase, Michael K.; Agapie, Theodor |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 59 - 64 |
| a | 12.9591 ± 0.0006 Å |
| b | 14.9868 ± 0.0007 Å |
| c | 19.8869 ± 0.0009 Å |
| α | 84.749 ± 0.003° |
| β | 81.986 ± 0.003° |
| γ | 87.662 ± 0.003° |
| Cell volume | 3807 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179522 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/19. |
4341969.cif |
| 130605 | 2015-02-04 | cif/ Updating files of 4341969, 4341970, 4341971, 4341972, 4341973 Original log message: Adding full bibliography for 4341969--4341973.cif. |
4341969.cif |
| 128916 | 2014-12-21 | cif/ Adding structures of 4341969, 4341970, 4341971, 4341972, 4341973 via cif-deposit CGI script. |
4341969.cif |
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Users of the data should acknowledge the original authors of the
structural data.