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Information card for entry 4314011
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Coordinates | 4314011.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H52 Fe N4 O S |
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Calculated formula | C38 H52 Fe N4 O S |
Title of publication | Effect of the Sixth Axial Ligand in CS-Ligated Iron(II)octaethylporphyrinates: Structural and Mössbauer Studies |
Authors of publication | Changsheng Cao; S. Dahal; Mayou Shang; Alicia M. Beatty; Wendy Hibbs; Charles E. Schulz; W. Robert Scheidt |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 5202 - 5210 |
a | 9.0599 ± 0.0005 Å |
b | 9.4389 ± 0.0005 Å |
c | 11.0676 ± 0.0006 Å |
α | 90.261 ± 0.001° |
β | 100.362 ± 0.001° |
γ | 114.664 ± 0.001° |
Cell volume | 842.72 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0608 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1395 |
Weighted residual factors for all reflections included in the refinement | 0.1403 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.283 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4314011.html
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Users of the data should acknowledge the original authors of the
structural data.