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Information card for entry 4081524
Preview
Coordinates | 4081524.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H50 Fe N6 O |
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Calculated formula | C32 H50 Fe N6 O |
SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)N=C(N1CCCCC1)N1CCCCC1)N=C(N1CCCCC1)N1CCCCC1.O |
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 | 15.7458 ± 0.001 Å |
b | 16.7413 ± 0.0008 Å |
c | 11.8479 ± 0.0007 Å |
α | 90° |
β | 90.169 ± 0.005° |
γ | 90° |
Cell volume | 3123.2 ± 0.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0392 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0698 |
Weighted residual factors for all reflections included in the refinement | 0.0725 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
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/4081524.html
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