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Information card for entry 7223522
Preview
| Coordinates | 7223522.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C122 H130 Dy2 N4 Ni2 O24 |
|---|---|
| Calculated formula | C118 H118 Dy2 N4 Ni2 O22 |
| SMILES | c1c2c(cccc2)cc2c1[N]1[Dy]3456(Oc7c(cc(cc7OC)CC=C)C=[O]3)([O]3[Ni]789([OH]CC)[N](=Cc%10cc(CC=C)cc(c3%10)[O]4C)c3cc4ccccc4cc3[O]7[Dy]347%10%11([N](c%12cc%13c(cccc%13)cc%12[O]9%11[Ni]9%11([N](=Cc%12cc(CC=C)cc(c%12[O]39)[O]%10C)c3cc9ccccc9cc3[O]6%11)([O]258)[OH]CC)=Cc2cc(CC=C)cc(OC)c2O7)Oc2c(cc(cc2OC)CC=C)C=[O]4)Oc2c(OC)cc(CC=C)cc2C=1.O1CCCC1.O1CCCC1 |
| Title of publication | Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects |
| Authors of publication | Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 5 |
| Pages of publication | 704 |
| a | 38.159 ± 0.003 Å |
| b | 38.159 ± 0.003 Å |
| c | 18.7654 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 23664 ± 3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175972 (current) | 2016-02-05 | cif/ Updating files of 7223506, 7223507, 7223508, 7223509, 7223510, 7223511, 7223512, 7223513, 7223514, 7223515, 7223516, 7223517, 7223518, 7223519, 7223520, 7223521, 7223522, 7223523, 7223524, 7223525 Original log message: Adding full bibliography for 7223506--7223525.cif. |
7223522.cif |
| 171587 | 2015-12-18 | cif/ Adding structures of 7223515, 7223516, 7223517, 7223518, 7223519, 7223520, 7223521, 7223522, 7223523, 7223524, 7223525 via cif-deposit CGI script. |
7223522.cif |
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Users of the data should acknowledge the original authors of the
structural data.