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Information card for entry 4341971
Preview
| Coordinates | 4341971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C76 H76 F3 Mn3 N10 O20 S Yb |
|---|---|
| Calculated formula | C76 H76 F3 Mn3 N10 O20 S Yb |
| 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 | 12.9443 ± 0.0007 Å |
| b | 14.9826 ± 0.0009 Å |
| c | 19.835 ± 0.001 Å |
| α | 84.47 ± 0.003° |
| β | 82.046 ± 0.003° |
| γ | 87.539 ± 0.003° |
| Cell volume | 3790.3 ± 0.4 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 | 0.0835 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4341971.cif |
| 179522 | 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. |
4341971.cif |
| 130605 | 2015-02-04 | cif/ Updating files of 4341969, 4341970, 4341971, 4341972, 4341973 Original log message: Adding full bibliography for 4341969--4341973.cif. |
4341971.cif |
| 128916 | 2014-12-21 | cif/ Adding structures of 4341969, 4341970, 4341971, 4341972, 4341973 via cif-deposit CGI script. |
4341971.cif |
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Users of the data should acknowledge the original authors of the
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