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Information card for entry 4338199
Preview
Coordinates | 4338199.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H54 Fe N7 |
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Calculated formula | C36 H48 Fe N7 |
SMILES | N12Cc3n4c(cc3)C=[N]([Fe]354(n4c(C1)ccc4C=[N]3C1CCCCC1)n1c(C2)ccc1C=[N]5C1CCCCC1)C1CCCCC1 |
Title of publication | Isolation of Iron(II) Aqua and Hydroxyl Complexes Featuring a Tripodal H-bond Donor and Acceptor Ligand. |
Authors of publication | Matson, Ellen M.; Bertke, Jeffrey A.; Fout, Alison R. |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 9 |
Pages of publication | 4450 - 4458 |
a | 13.4323 ± 0.0005 Å |
b | 13.4323 ± 0.0005 Å |
c | 11.6144 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1814.8 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 159 |
Hermann-Mauguin space group symbol | P 3 1 c |
Hall space group symbol | P 3 -2c |
Residual factor for all reflections | 0.0285 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0757 |
Weighted residual factors for all reflections included in the refinement | 0.0767 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4338199.html
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