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Information card for entry 7719409
Preview
| Coordinates | 7719409.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H24 Cl Fe I2 N4 O6 |
|---|---|
| Calculated formula | C21 H24 Cl Fe I2 N4 O6 |
| Title of publication | Symmetric and asymmetric ligands for Fe<sup>III</sup> spin crossover - the influence of the <i>C</i><sub>2</sub> axis. |
| Authors of publication | Kelly, Conor T.; Cuza, Emmelyne; Pasquetti, Eoin; Quinn, Niall; Griffin, Michael; Nockemann, Peter; Müller-Bunz, Helge; Bruno-Colmenarez, Julia; Felton, Solveig; Lada, Zoi G.; Morgan, Grace G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2025 |
| Journal volume | 54 |
| Journal issue | 38 |
| Pages of publication | 14522 - 14532 |
| a | 7.8924 ± 0.0002 Å |
| b | 22.0766 ± 0.0005 Å |
| c | 14.9236 ± 0.0004 Å |
| α | 90° |
| β | 90.603 ± 0.002° |
| γ | 90° |
| Cell volume | 2600.1 ± 0.11 Å3 |
| Cell temperature | 110 ± 9 K |
| Ambient diffraction temperature | 110 ± 9 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | I 1 a 1 |
| Hall space group symbol | I -2ya |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302694 (current) | 2025-10-06 | cif/ Updating files of 7719387, 7719388, 7719389, 7719390, 7719391, 7719392, 7719393, 7719394, 7719395, 7719396, 7719397, 7719398, 7719399, 7719400, 7719401, 7719402, 7719403, 7719404, 7719405, 7719406, 7719407, 7719408, 7719409, 7719410, 7719411, 7719412, 7719413, 7719414, 7719415, 7719416, 7719417, 7719418, 7719419, 7719420 Original log message: Adding full bibliography for 7719387--7719420.cif. |
7719409.cif |
| 302093 | 2025-09-11 | cif/ Adding structures of 7719387, 7719388, 7719389, 7719390, 7719391, 7719392, 7719393, 7719394, 7719395, 7719396, 7719397, 7719398, 7719399, 7719400, 7719401, 7719402, 7719403, 7719404, 7719405, 7719406, 7719407, 7719408, 7719409, 7719410, 7719411, 7719412, 7719413, 7719414, 7719415, 7719416, 7719417, 7719418, 7719419, 7719420 via cif-deposit CGI script. |
7719409.cif |
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Users of the data should acknowledge the original authors of the
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