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Information card for entry 4340639
Preview
| Coordinates | 4340639.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H120 Cl Er3 N6 Ni3 O29 |
|---|---|
| Calculated formula | C81 H120 Cl Er3 N6 Ni3 O29 |
| SMILES | C[O]1c2cc(cc3c2[O]2[Er]456781[O]1c9c([O]4C)cc(cc9C[N]49Cc%10cc(cc%11c%10[O]%10[Er]%12%13%14%15([O]5[Er]5%16%17%18%19([O](C)c%20cc(cc%21c%20[O]5[Ni]5%20([N](C%21)(CC[N]5(C)C)Cc5cc(cc([O]%13C)c5[O]%12%20)C)([OH]%14%17)[O]=C(O%19)C(C)(C)C)C)[O]5[Ni]%122([N](C3)(CC[N]%12(C)C)Cc2cc(cc([O]%16C)c52)C)([O]=C(O7)C(C)(C)C)[OH]8%18)([OH]6[Ni]19%10([N](CC4)(C)C)[O]=C(O%15)C(C)(C)C)[O]%11C)C)C)C.[O-]Cl(=O)(=O)=O.O.O.O |
| Title of publication | Hexanuclear, Heterometallic, Ni3Ln3 Complexes Possessing O-Capped Homo- and Heterometallic Structural Subunits: SMM Behavior of the Dysprosium Analogue. |
| Authors of publication | Goura, Joydeb; Guillaume, Rogez; Rivière, Eric; Chandrasekhar, Vadapalli |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 15 |
| Pages of publication | 7815 |
| a | 24.964 ± 0.005 Å |
| b | 24.964 ± 0.005 Å |
| c | 23.036 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 120 ± 0.005° |
| Cell volume | 12433 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 165 |
| Hermann-Mauguin space group symbol | P -3 c 1 |
| Hall space group symbol | -P 3 2"c |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1421 |
| Weighted residual factors for all reflections included in the refinement | 0.149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179509 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06. |
4340639.cif |
| 121106 | 2014-08-04 | cif/ Adding structures of 4340635, 4340636, 4340637, 4340638, 4340639 via cif-deposit CGI script. |
4340639.cif |
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Users of the data should acknowledge the original authors of the
structural data.