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Information card for entry 7710322
Preview
Coordinates | 7710322.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H26 Br2 Fe N6 S2 |
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Calculated formula | C38 H26 Br2 Fe N6 S2 |
Title of publication | High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents. |
Authors of publication | Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2022 |
Journal volume | 51 |
Journal issue | 24 |
Pages of publication | 9302 - 9313 |
a | 17.616 ± 0.0017 Å |
b | 17.616 ± 0.0017 Å |
c | 12.106 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3756.8 ± 0.8 Å3 |
Cell temperature | 148 ± 2 K |
Ambient diffraction temperature | 148.15 K |
Number of distinct elements | 6 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for all reflections | 0.0339 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0892 |
Weighted residual factors for all reflections included in the refinement | 0.0911 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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