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Information card for entry 2312563
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Coordinates | 2312563.cif |
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Original IUCr paper | HTML |
Chemical name | μ-Cyanido-κ^2^<i>C</i>:<i>N</i>-bis[(acetonitrile-κ<i>N</i>)[3,3'-bis(pyridin-2-yl)-1,1'-(methylidene)bis(benzimidazol-2-ylidene)]iron(II) tris(hexafluorophosphate), |
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Formula | C55 H42 F18 Fe2 N15 P3 |
Calculated formula | C55 H42 F18 Fe2 N15 P3 |
Title of publication | Formation of a diiron-(μ-η<sup>1</sup>:η<sup>1</sup>-CN) complex from acetonitrile solution. |
Authors of publication | Schlachta, Tim P.; Sauer, Michael J.; Richter, Leon F.; Kühn, Fritz E |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 9 |
a | 25.562 ± 0.002 Å |
b | 17.0373 ± 0.0015 Å |
c | 14.8998 ± 0.0012 Å |
α | 90° |
β | 112.112 ± 0.003° |
γ | 90° |
Cell volume | 6011.7 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0389 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0781 |
Weighted residual factors for all reflections included in the refinement | 0.0829 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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294064 (current) | 2024-08-09 | cif/ Adding structures of 2312563 via cif-deposit CGI script. |
2312563.cif |
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