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Information card for entry 4337599
Preview
| Coordinates | 4337599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H78 Mn4 N10 Na O30 Sm |
|---|---|
| Calculated formula | C54 H78 Mn4 N10 Na O30 Sm |
| SMILES | C12O[Mn]345[O]67[N]=2[Mn]28(Oc9c1cccc9)OC(=[O][Sm]19%10%116(OC(=[O][Mn]6%12(OC%13c%14c(cccc%14)O[Mn]%14([O]=C(O1)C)(OC(c1c(cccc1)O3)=[N]5[O]1%11%14)[N]=%13[O]963)Oc5ccccc5C(O2)=[N]%12[O]8%10[Na]713([OH2])([OH2])([OH2])[OH2])C)OC(=[O]4)C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.C(=O)N(C)C.C(=O)N(C)C |
| Title of publication | Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework. |
| Authors of publication | Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 3 |
| Pages of publication | 1729 - 1742 |
| a | 12.9948 ± 0.0014 Å |
| b | 16.095 ± 0.0017 Å |
| c | 17.4377 ± 0.0019 Å |
| α | 89.3383 ± 0.0016° |
| β | 88.8405 ± 0.0016° |
| γ | 73.2931 ± 0.0015° |
| Cell volume | 3492.4 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0293 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0615 |
| Weighted residual factors for all reflections included in the refinement | 0.0642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4337599.cif |
| 179478 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/75. |
4337599.cif |
| 107652 | 2014-03-21 | cif/ Adding structures of 4337597, 4337598, 4337599, 4337600, 4337601, 4337602, 4337603, 4337604, 4337605, 4337606, 4337607, 4337608, 4337609, 4337610 via cif-deposit CGI script. |
4337599.cif |
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Users of the data should acknowledge the original authors of the
structural data.