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Information card for entry 7017039
Preview
Coordinates | 7017039.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H32 Cl2 Fe2 N2 O4 P2 S2 |
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Calculated formula | C40 H32 Cl2 Fe2 N2 O4 P2 S2 |
SMILES | [Fe]123([Fe]4([S]1Cc1nc5ccccc5nc1C[S]24)(C#[O])(C#[O])C#[O])([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].C(Cl)Cl |
Title of publication | Synthesis and characterization of diiron dithiolate complexes containing a quinoxaline bridge. |
Authors of publication | Xu, Fenfen; Du, Shaowu; Liu, Yuping; Hassan, Jacqueline; Zhang, Jie; Bond, Alan M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 41 |
Pages of publication | 10907 - 10917 |
a | 10.199 ± 0.007 Å |
b | 13.712 ± 0.009 Å |
c | 14.582 ± 0.009 Å |
α | 92.981 ± 0.008° |
β | 91.827 ± 0.007° |
γ | 100.728 ± 0.013° |
Cell volume | 1999 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for significantly intense reflections | 0.1364 |
Weighted residual factors for all reflections included in the refinement | 0.1704 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7017039.html
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