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Information card for entry 4323933
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Coordinates | 4323933.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Fe((DMG)BPh2)2(BuCN)2] |
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Chemical name | bis(butyronitrile)bis(dimethylglyoximato(diphenylborato))iron(II) |
Formula | C40 H46 B2 Fe N6 O4 |
Calculated formula | C40 H46 B2 Fe N6 O4 |
Title of publication | Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces |
Authors of publication | Isak Vernik; Dennis V. Stynes |
Journal of publication | Inorganic Chemistry |
Year of publication | 1996 |
Journal volume | 35 |
Pages of publication | 6210 - 6220 |
a | 8.944 ± 0.002 Å |
b | 11.348 ± 0.002 Å |
c | 19.864 ± 0.004 Å |
α | 90° |
β | 101.11 ± 0.03° |
γ | 90° |
Cell volume | 1978.3 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.2033 |
Residual factor for significantly intense reflections | 0.0648 |
Weighted residual factors for all reflections | 0.1552 |
Weighted residual factors for significantly intense reflections | 0.1209 |
Goodness-of-fit parameter for all reflections | 0.761 |
Goodness-of-fit parameter for significantly intense reflections | 1.092 |
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/4323933.html
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