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Information card for entry 7047551
Preview
Coordinates | 7047551.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H23 Fe0.96 Mn0.04 N5 O3 |
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Calculated formula | C17 H23 Fe0.96 Mn0.04 N5 O3 |
Title of publication | Seven-coordinated iron(ii) spin-crossover molecules: some learning from iron substitution in [Fe<sub>x</sub>Mn<sub>1-x</sub>(L<sub>222</sub>N<sub>3</sub>O<sub>2</sub>)(CN)<sub>2</sub>]·H<sub>2</sub>O solid solutions. |
Authors of publication | Wang, Hongfeng; Baldé, Chérif; Grosjean, Arnaud; Desplanches, Cédric; Guionneau, Philippe; Chastanet, Guillaume |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 41 |
Pages of publication | 14741 - 14750 |
a | 17.3438 ± 0.0008 Å |
b | 12.0771 ± 0.0007 Å |
c | 10.1378 ± 0.0007 Å |
α | 90° |
β | 116.269 ± 0.003° |
γ | 90° |
Cell volume | 1904.2 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1733 |
Residual factor for significantly intense reflections | 0.0784 |
Weighted residual factors for significantly intense reflections | 0.1617 |
Weighted residual factors for all reflections included in the refinement | 0.2 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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