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Information card for entry 7133370
Preview
Coordinates | 7133370.cif |
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Original paper (by DOI) | HTML |
Formula | C94 H102 Fe4 N16 |
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Calculated formula | C94 H102 Fe4 N16 |
Title of publication | Modulation of Fe-Fe distance and spin in diiron complexes using tetradentate ligands with different flanking donors. |
Authors of publication | Spielvogel, Kyle D.; Campbell, Emily J.; Chowdhury, Sabyasachi Roy; Benner, Florian; Demir, Selvan; Hatzis, Gillian P.; Petras, Hayley R.; Sembukuttiarachchige, Dunya; Shepherd, James J.; Thomas, Christine M.; Vlaisavljevich, Bess; Daly, Scott R. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 64 |
Pages of publication | 8399 - 8402 |
a | 14.495 ± 0.004 Å |
b | 17.19 ± 0.005 Å |
c | 20.268 ± 0.007 Å |
α | 68.265 ± 0.017° |
β | 89.15 ± 0.02° |
γ | 87.363 ± 0.015° |
Cell volume | 4686 ± 3 Å3 |
Cell temperature | 150.15 K |
Ambient diffraction temperature | 150.15 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1858 |
Residual factor for significantly intense reflections | 0.0985 |
Weighted residual factors for significantly intense reflections | 0.2482 |
Weighted residual factors for all reflections included in the refinement | 0.2968 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7133370.html
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Users of the data should acknowledge the original authors of the
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