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Information card for entry 4512606
Preview
| Coordinates | 4512606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H76 Cl2 Gd4 Mn2 N6 O22 |
|---|---|
| Calculated formula | C66 H76 Cl2 Gd4 Mn2 N6 O22 |
| SMILES | C1=[N]2N=C3[O]4[Gd]567892[O]=C(O[Gd]2%10%11%12%13([O]%14c%15c(C=[N](c%16c3cccc%16)[Mn]4%14([O]6%12)Cl)cccc%15[O]2C)[O]=C(C(C)(C)C)[OH][Gd]2346%12([N](=Cc%14cccc(c%14[O]%112)[O]%10C)N=C2[O]3[Mn]3%10([N](c%11c2cccc%11)=Cc2cccc%11[O](C)[Gd]%14([O](C)c%15cccc1c%15[O]5%14)([O]3c2%11)([O]4%10)([O]76)(OC(=[O]%12)C(C)(C)C)[O]=C(C(C)(C)C)[OH]9)Cl)[O]8%13)C(C)(C)C |
| Title of publication | Chair-Shaped MnII2LnIII4(Ln = Gd, Tb, Dy, Ho) Heterometallic Complexes Assembled from a Tricompartmental Aminobenzohydrazide Ligand |
| Authors of publication | Chakraborty, Amit; Bag, Prasenjit; Goura, Joydeb; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 2 |
| Pages of publication | 848 |
| a | 11.687 ± 0.005 Å |
| b | 14.276 ± 0.005 Å |
| c | 14.847 ± 0.005 Å |
| α | 107.624 ± 0.005° |
| β | 94.648 ± 0.005° |
| γ | 108.89 ± 0.005° |
| Cell volume | 2189.2 ± 1.4 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 | 0.0777 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179674 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/26. |
4512606.cif |
| 132758 | 2015-03-04 | cif/ Updating files of 4512606, 4512607, 4512608, 4512609 Original log message: Adding full bibliography for 4512606--4512609.cif. |
4512606.cif |
| 130359 | 2015-02-04 | cif/ Adding structures of 4512606, 4512607, 4512608, 4512609 via cif-deposit CGI script. |
4512606.cif |
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Users of the data should acknowledge the original authors of the
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