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Information card for entry 5000302
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H32 Mn3 N4 O14 |
|---|---|
| Calculated formula | C29.996 H32 Mn3 N4 O13.996 |
| Title of publication | Towards a synthetic model of the photosynthetic water oxidizing complex: [Mn~3~O~4~(O~2~CMe)~4~(bpy)~2~] containing the [Mn^IV^~3~(μ-O)~4~]^4+^ core |
| Authors of publication | Bhaduri, Sumit; Pink, Maren; Christou, George |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2002 |
| Journal issue | 20 |
| Pages of publication | 2352 - 2353 |
| a | 16.059 ± 0.005 Å |
| b | 15.377 ± 0.004 Å |
| c | 14.872 ± 0.003 Å |
| α | 90° |
| β | 101.648 ± 0.016° |
| γ | 90° |
| Cell volume | 3597.1 ± 1.7 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1223 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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