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Information card for entry 4081521
Preview
Coordinates | 4081521.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H32 Fe N6 |
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Calculated formula | C22 H32 Fe N6 |
SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)N=C1N(CCCN1C)C)N=C1N(CCCN1C)C |
Title of publication | Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination |
Authors of publication | Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5862 |
a | 10.5562 ± 0.0007 Å |
b | 10.6369 ± 0.0005 Å |
c | 18.5641 ± 0.0012 Å |
α | 90° |
β | 90.229 ± 0.006° |
γ | 90° |
Cell volume | 2084.5 ± 0.2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0398 |
Residual factor for significantly intense reflections | 0.0251 |
Weighted residual factors for significantly intense reflections | 0.0512 |
Weighted residual factors for all reflections included in the refinement | 0.0535 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.881 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4081521.html
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Users of the data should acknowledge the original authors of the
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