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Information card for entry 4327169
Preview
| Coordinates | 4327169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H94 Mn10 N26 Na2 O28 |
|---|---|
| Calculated formula | C50 H94 Mn10 N26 Na2 O28 |
| SMILES | C1C[N]23CC[O]4[Mn]56([O]7[Mn]([O]8CC[N]9(CC2)CC[O]2[Mn]%10389[O]1[Mn]132OC(=[O][Mn]289([O]1C)OC(=[O][Mn]1%11(N=N#N)OC(=[O][Mn]([O]91)(N=N#N)(N=N#N)[O]1[Mn]9%12%13([O]38)[N]3(CC[O]9[Mn]89([O]%10[Mn]47(OC(=[O]8)CC)([O]9C)[O]=C(O6)CC)[O]%13CC[N]%12(CC3)CC1)CC[O]2%11)CC)CC)CC)(OC(=[O]5)CC)(N=N#N)N=N#N)N=N#N.C(#N)C.[Na+].N#CC.OC.OC.[Na+].N#CC.N#CC |
| Title of publication | New Mixed-Valent Mn Clusters from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH4): Mn3, Mn4, Mn6, and Mn10 |
| Authors of publication | Arpita Saha; Khalil A. Abboud; George Christou |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 12774 - 12784 |
| a | 12.682 ± 0.002 Å |
| b | 12.716 ± 0.002 Å |
| c | 14.595 ± 0.003 Å |
| α | 90.132 ± 0.004° |
| β | 96.501 ± 0.003° |
| γ | 115.491 ± 0.003° |
| Cell volume | 2107.5 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286259 (current) | 2023-09-07 | cif/4 Fixing Z values and formulae |
4327169.cif |
| 179374 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/71. |
4327169.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4327169.cif |
| 49948 | 2012-03-29 | ../uploads/cif-deposit/cod/cif Adding structures of 4327169 via cif-deposit CGI script. |
4327169.cif |
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Users of the data should acknowledge the original authors of the
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