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Information card for entry 4064594
Preview
Coordinates | 4064594.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H26 Fe2 N4 O2 P2 S4 |
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Calculated formula | C40 H26 Fe2 N4 O2 P2 S4 |
SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]12345(C#[O])[P](c2nc3ccccc3s2)(c2nc3ccccc3s2)[Fe]2345(C#[O])([cH]6[cH]2[cH]3[cH]4[cH]56)[P]1(c1nc2ccccc2s1)c1nc2ccccc2s1 |
Title of publication | Flexibility First—AJanus-HeadLigand in Iron Coordination |
Authors of publication | Kling, Christian; Leusser, Dirk; Stey, Thomas; Stalke, Dietmar |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 9 |
Pages of publication | 2461 |
a | 9.3115 ± 0.0004 Å |
b | 9.8585 ± 0.0004 Å |
c | 11.8692 ± 0.0005 Å |
α | 114.377 ± 0.001° |
β | 95.598 ± 0.001° |
γ | 110.56 ± 0.001° |
Cell volume | 890.86 ± 0.07 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0372 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0777 |
Weighted residual factors for all reflections included in the refinement | 0.0807 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4064594.html
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