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Information card for entry 4512607
Preview
| Coordinates | 4512607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H100 Cl2 Mn2 N14 O22 Tb4 |
|---|---|
| Calculated formula | C82 H100 Cl2 Mn2 N14 O22 Tb4 |
| SMILES | C12=N[N]3[Tb]456789[O]1[Mn]1%10([N](=Cc%11c%12[O]1[Tb]1%13%14([O](c%12ccc%11)C)([O]=C(O[Tb]%11%12%15%16%17([N](=Cc%18cccc(c%18[O]%13%11)[O]1C)N=C1[O]%12[Mn]%11%12([N](c%13c1cccc%13)=Cc1c%13[O]%11[Tb]%11([O](C)c%18cccc(c%18[O]6%11)C=3)([O](c%13ccc1)C)([O]=C(O7)C(C)(C)C)(OC(C(C)(C)C)=[O]%15)([O]%16%12)[OH]8%17)Cl)[OH]9%14)C(C)(C)C)([O]=C(C(C)(C)C)O4)[O]5%10)c1c2cccc1)Cl.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC |
| 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 | 13.425 ± 0.005 Å |
| b | 13.637 ± 0.005 Å |
| c | 14.927 ± 0.005 Å |
| α | 73.564 ± 0.005° |
| β | 69.223 ± 0.005° |
| γ | 68.784 ± 0.005° |
| Cell volume | 2344.1 ± 1.5 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 | 0.0831 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.1607 |
| Weighted residual factors for all reflections included in the refinement | 0.2233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| 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. |
4512607.cif |
| 132758 | 2015-03-04 | cif/ Updating files of 4512606, 4512607, 4512608, 4512609 Original log message: Adding full bibliography for 4512606--4512609.cif. |
4512607.cif |
| 130359 | 2015-02-04 | cif/ Adding structures of 4512606, 4512607, 4512608, 4512609 via cif-deposit CGI script. |
4512607.cif |
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