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Information card for entry 4512609
Preview
| Coordinates | 4512609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H100 Cl2 Ho4 Mn2 N14 O22 |
|---|---|
| Calculated formula | C82 H100 Cl2 Ho4 Mn2 N14 O22 |
| SMILES | [N]12=Cc3cccc4[O]([Ho]56789%10[O](c34)[Mn]32([O]2C(=N[N]4=Cc%11cccc%12c%11[O]%11[Ho]%13%14%15%16%17([O]%12C)[O]%12c%18c(C=[N]%19c%20c(C%21=N[N]%22=Cc%23cccc(c%23[O]7[Ho]7%23%24%22([O]%21[Mn]%12%19([O]%157)Cl)([O]=C(O%14)C(C)(C)C)([OH]9[Ho]24%11%24([O]=C(O5)C(C)(C)C)([O]83)([OH]%16%23)OC(C(C)(C)C)=[O]%17)OC(C(C)(C)C)=[O]%10)[O]6C)cccc%20)cccc%18[O]%13C)c2ccccc12)Cl)C.N#CC.N#CC.N#CC.CC#N.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 | 13.327 ± 0.005 Å |
| b | 13.649 ± 0.005 Å |
| c | 14.848 ± 0.005 Å |
| α | 73.807 ± 0.005° |
| β | 69.316 ± 0.005° |
| γ | 69.002 ± 0.005° |
| Cell volume | 2322.8 ± 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 | 0.0457 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0608 |
| Weighted residual factors for all reflections included in the refinement | 0.0656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
4512609.cif |
| 132758 | 2015-03-04 | cif/ Updating files of 4512606, 4512607, 4512608, 4512609 Original log message: Adding full bibliography for 4512606--4512609.cif. |
4512609.cif |
| 130359 | 2015-02-04 | cif/ Adding structures of 4512606, 4512607, 4512608, 4512609 via cif-deposit CGI script. |
4512609.cif |
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