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Information card for entry 7704698
Preview
Coordinates | 7704698.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H66 Cl2 Fe N20 O8 |
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Calculated formula | C40 H66 Cl2 Fe N20 O8 |
Title of publication | Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand. |
Authors of publication | Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 28 |
Pages of publication | 9811 - 9819 |
a | 10.5814 ± 0.0009 Å |
b | 12.2474 ± 0.0011 Å |
c | 12.3911 ± 0.001 Å |
α | 84.459 ± 0.007° |
β | 74.221 ± 0.007° |
γ | 73.784 ± 0.008° |
Cell volume | 1483.5 ± 0.2 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1334 |
Residual factor for significantly intense reflections | 0.109 |
Weighted residual factors for significantly intense reflections | 0.2838 |
Weighted residual factors for all reflections included in the refinement | 0.318 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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