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Information card for entry 7118139
Preview
Coordinates | 7118139.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H24 Cl4 F6 Mn N5 O6 S2 |
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Calculated formula | C24 H24 Cl4 F6 Mn N5 O6 S2 |
Title of publication | Electronic vs. structural ordering in a manganese(iii) spin crossover complex. |
Authors of publication | Fitzpatrick, Anthony J.; Trzop, Eliza; Müller-Bunz, Helge; Dîrtu, Marinela M; Garcia, Yann; Collet, Eric; Morgan, Grace G. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 99 |
Pages of publication | 17540 - 17543 |
a | 9.9211 ± 0.0004 Å |
b | 11.2426 ± 0.0005 Å |
c | 15.4284 ± 0.0007 Å |
α | 102.26 ± 0.004° |
β | 100.491 ± 0.004° |
γ | 100.192 ± 0.004° |
Cell volume | 1611.34 ± 0.13 Å3 |
Cell temperature | 210 ± 0.1 K |
Ambient diffraction temperature | 210 ± 0.1 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0564 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1489 |
Weighted residual factors for all reflections included in the refinement | 0.1517 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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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