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Information card for entry 7243601
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| Coordinates | 7243601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(phthalocyaninato)-erbium |
|---|---|
| Chemical name | (phthalocyaninato)-(phthalocyaninato-radical)-erbium(III) |
| Formula | C65 H34 Cl2 Er N16 |
| Calculated formula | C65 H34 Cl2 Er N16 |
| Title of publication | Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs |
| Authors of publication | Dailey, Maegan; Besson, Claire |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 40 |
| Pages of publication | 7151 - 7161 |
| a | 28.016 ± 0.003 Å |
| b | 22.942 ± 0.003 Å |
| c | 7.8678 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5057 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0657 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270438 (current) | 2021-11-06 | cif/ Updating files of 7243585, 7243586, 7243587, 7243588, 7243589, 7243590, 7243591, 7243592, 7243593, 7243594, 7243595, 7243596, 7243597, 7243598, 7243599, 7243600, 7243601, 7243602, 7243603, 7243604, 7243605, 7243606, 7243607 Original log message: Adding full bibliography for 7243585--7243607.cif. |
7243601.cif |
| 269297 | 2021-09-25 | cif/ Adding structures of 7243585, 7243586, 7243587, 7243588, 7243589, 7243590, 7243591, 7243592, 7243593, 7243594, 7243595, 7243596, 7243597, 7243598, 7243599, 7243600, 7243601, 7243602, 7243603, 7243604, 7243605, 7243606, 7243607 via cif-deposit CGI script. |
7243601.cif |
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Users of the data should acknowledge the original authors of the
structural data.