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Information card for entry 7710313
Preview
| Coordinates | 7710313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H32 Fe N6 S2 |
|---|---|
| Calculated formula | C40 H32 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 | 17.7428 ± 0.0006 Å |
| b | 17.7428 ± 0.0006 Å |
| c | 12.21 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3843.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0597 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.0848 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276618 (current) | 2022-07-06 | cif/ Updating files of 7710305, 7710306, 7710307, 7710308, 7710309, 7710310, 7710311, 7710312, 7710313, 7710314, 7710315, 7710316, 7710317, 7710318, 7710319, 7710320, 7710321, 7710322, 7710323, 7710324, 7710325 Original log message: Adding full bibliography for 7710305--7710325.cif. |
7710313.cif |
| 275631 | 2022-05-25 | cif/ Adding structures of 7710305, 7710306, 7710307, 7710308, 7710309, 7710310, 7710311, 7710312, 7710313, 7710314, 7710315, 7710316, 7710317, 7710318, 7710319, 7710320, 7710321, 7710322, 7710323, 7710324, 7710325 via cif-deposit CGI script. |
7710313.cif |
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Users of the data should acknowledge the original authors of the
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