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Information card for entry 4113370
Preview
Coordinates | 4113370.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H22 B8 Fe2 P |
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Calculated formula | C12 H22 B8 Fe2 P |
SMILES | [Fe]12345678([Fe]9%10%11%12%13%14%15([P]%16%171([BH]1%18%10[BH]%10%19%16[BH]%163%17[BH]3%17%19[BH]%19%18%10[BH]%10%111[CH]129[BH]4%163[BH]%17%19%101)C)[cH]1[cH]%12[cH]%13[cH]%14[cH]%151)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12 |
Authors of publication | Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 212 - 220 |
a | 9.2231 ± 0.0002 Å |
b | 13.4955 ± 0.0003 Å |
c | 13.9081 ± 0.0003 Å |
α | 90° |
β | 96.117 ± 0.001° |
γ | 90° |
Cell volume | 1721.29 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0474 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for all reflections | 0.0844 |
Weighted residual factors for significantly intense reflections | 0.0805 |
Goodness-of-fit parameter for all reflections | 1.118 |
Goodness-of-fit parameter for significantly intense reflections | 1.127 |
Diffraction radiation wavelength | 0.7107 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/4113370.html
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Users of the data should acknowledge the original authors of the
structural data.