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Information card for entry 7706333
Preview
Coordinates | 7706333.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41.01 H37.51 Cl2 N14.5 O8 Zn |
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Calculated formula | C41.004 H37.5066 Cl2 N14.502 O8 Zn |
Title of publication | Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it? |
Authors of publication | Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 4 |
Pages of publication | 1206 - 1223 |
a | 12.7622 ± 0.0007 Å |
b | 14.6333 ± 0.0006 Å |
c | 14.8701 ± 0.0005 Å |
α | 62.805 ± 0.004° |
β | 69.432 ± 0.004° |
γ | 70.165 ± 0.004° |
Cell volume | 2258.7 ± 0.2 Å3 |
Cell temperature | 180 ± 0.1 K |
Ambient diffraction temperature | 180 ± 0.1 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 | 0.0751 |
Residual factor for significantly intense reflections | 0.0689 |
Weighted residual factors for significantly intense reflections | 0.191 |
Weighted residual factors for all reflections included in the refinement | 0.197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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