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Information card for entry 7015587
Preview
| Coordinates | 7015587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C89 H87.5 Gd Mn6 N12.5 Na2 O30.5 |
|---|---|
| Calculated formula | C89 H82 Gd Mn6 N12.5 Na2 O30.5 |
| SMILES | [Gd]123456([O]7[Mn]89%10%11[O]%12[Na]%13%14%15([O](c%16c%12c(ccc%16)C=[N]9CC7)C)[O]7[Mn]9%12([O]1CC[N]9=Cc1c7c([O]%13C)ccc1)([O]28[Mn]12([O]%14c7c([O]%15C)cccc7C=[N]2CC[O]51)([O]=C(O%11)c1ccccc1)OC(=[O]%12)c1ccccc1)[N]%10=N#N)[O]1[Mn]2578[O]9c%10c([O](C)[Na]%11%12%139[O]9[Mn]%14%15([O]=C(O2)c2ccccc2)([O]3CC[N]%14=Cc2c9c([O]%11C)ccc2)[O]68[Mn]23([O]=C(O5)c5ccccc5)([O]%12c5c([O]%13C)cccc5C=[N]3CC[O]42)[N]%15=N#N)cccc%10C=[N]7CC1.O.O.O.N#CC |
| Title of publication | Synthesis, structure and magnetic properties of a novel family of heterometallic nonanuclear Na(I)2Mn(III)6Ln(III) (Ln = Eu, Gd, Tb, Dy) complexes. |
| Authors of publication | Yang, Pei-Pei; Wang, Xiao-Ling; Li, Li-Cun; Liao, Dai-Zheng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 16 |
| Pages of publication | 4155 - 4161 |
| a | 14.3781 ± 0.0017 Å |
| b | 14.4587 ± 0.0016 Å |
| c | 16.071 ± 0.002 Å |
| α | 115.317 ± 0.01° |
| β | 102.619 ± 0.016° |
| γ | 105.415 ± 0.013° |
| Cell volume | 2691.7 ± 0.8 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.063 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.169 |
| Weighted residual factors for all reflections included in the refinement | 0.1736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291143 (current) | 2024-04-09 | cif/7: Fixing Z values and formulae |
7015587.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7015587.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015587.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015587.cif |
| 21196 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015584, 7015585, 7015586, 7015587, 7015588 via cif-deposit CGI script. |
7015587.cif |
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