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Information card for entry 4085925
Preview
Coordinates | 4085925.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H27 Br3 Fe2 N2 |
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Calculated formula | C37 H27 Br3 Fe2 N2 |
SMILES | C12c3c([CH]4=[CH](c5c1cccc5)[Fe]14([N]2=C(N2C4c5c([CH]6=[CH](c7c4cccc7)[Fe]26(Br)[Br]1)cccc5)c1ccccc1)B)cccc3 |
Title of publication | Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application |
Authors of publication | Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 12 |
Pages of publication | 3079 |
a | 14.8426 ± 0.0008 Å |
b | 17.7906 ± 0.0007 Å |
c | 13.3967 ± 0.0006 Å |
α | 90° |
β | 113.228 ± 0.006° |
γ | 90° |
Cell volume | 3250.8 ± 0.3 Å3 |
Cell temperature | 105.4 ± 0.2 K |
Ambient diffraction temperature | 105.4 ± 0.2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for significantly intense reflections | 0.0589 |
Weighted residual factors for all reflections included in the refinement | 0.0625 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
141379 (current) | 2015-07-09 | cif/ Updating files of 4085916, 4085917, 4085918, 4085919, 4085920, 4085921, 4085922, 4085923, 4085924, 4085925, 4085926 Original log message: Adding full bibliography for 4085916--4085926.cif. |
4085925.cif |
137762 | 2015-06-04 | cif/ Adding structures of 4085916, 4085917, 4085918, 4085919, 4085920, 4085921, 4085922, 4085923, 4085924, 4085925, 4085926 via cif-deposit CGI script. |
4085925.cif |
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Users of the data should acknowledge the original authors of the
structural data.