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Information card for entry 4334588
Preview
Coordinates | 4334588.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | h03prr25 |
---|---|
Formula | C30 H20 Fe2 N2 S |
Calculated formula | C30 H20 Fe2 N2 S |
SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)C#Cc1c2c(c(cc1)C#C[c]13[cH]4[cH]5[cH]6[cH]1[Fe]17893456[cH]3[cH]9[cH]8[cH]7[cH]13)nsn2 |
Title of publication | Long-Range Intramolecular Electronic Communication in Bis(ferrocenylethynyl) Complexes Incorporating Conjugated Heterocyclic Spacers: Synthesis, Crystallography, and Electrochemistry |
Authors of publication | Hakikulla H. Shah; Rayya A. Al-Balushi; Mohammed K. Al-Suti; Muhammad S. Khan; Christopher H. Woodall; Kieran C. Molloy; Paul R. Raithby; Thomas P. Robinson; Sara E. C. Dale; Frank Marken |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 4898 - 4908 |
a | 30.6586 ± 0.0003 Å |
b | 9.8566 ± 0.0001 Å |
c | 21.6227 ± 0.0003 Å |
α | 90° |
β | 134.389 ± 0.001° |
γ | 90° |
Cell volume | 4669.35 ± 0.12 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0452 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.104 |
Weighted residual factors for all reflections included in the refinement | 0.1092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
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/4334588.html
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Users of the data should acknowledge the original authors of the
structural data.