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Information card for entry 7709257
Preview
Coordinates | 7709257.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H52 Au B3 Cl2 F12 Fe2 N4 |
---|---|
Calculated formula | C48 H52 Au B3 Cl2 F12 Fe2 N4 |
SMILES | [Au](=C1N(C[c]23[cH]4[Fe]56789%102([cH]3[cH]%10[cH]48)[cH]2[cH]5[cH]9[cH]7[cH]62)C=CN1c1c(cc(cc1C)C)C)=C1N(C=CN1C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]7[cH]9[cH]8[cH]61)c1c(C)cc(cc1C)C.ClCCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Detailed structural and spectroscopic elucidation of ferrocenium coupled N-heterocyclic carbene gold(I) complexes. |
Authors of publication | Reinhard, Garrett L.; Jayaraman, Selvakumar; Prybil, Joshua W.; Arambula, Jonathan F.; Arumugam, Kuppuswamy |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2022 |
Journal volume | 51 |
Journal issue | 4 |
Pages of publication | 1533 - 1541 |
a | 14.447 ± 0.002 Å |
b | 24.404 ± 0.004 Å |
c | 14.886 ± 0.002 Å |
α | 90° |
β | 99.088 ± 0.004° |
γ | 90° |
Cell volume | 5182.4 ± 1.3 Å3 |
Cell temperature | 170 K |
Ambient diffraction temperature | 170 K |
Number of distinct elements | 8 |
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 | 0.055 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0856 |
Weighted residual factors for all reflections included in the refinement | 0.0955 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0437 |
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/7709257.html
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