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Information card for entry 4122610
Preview
Coordinates | 4122610.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | DSA40 |
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Formula | C65.5 H62 B F9 Fe N7 P |
Calculated formula | C65.5 H62 B F9 Fe N7 P |
Title of publication | Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes. |
Authors of publication | Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 38 |
Pages of publication | 13326 - 13332 |
a | 22.4029 ± 0.0006 Å |
b | 13.1509 ± 0.0004 Å |
c | 41.043 ± 0.0011 Å |
α | 90° |
β | 90.453 ± 0.0014° |
γ | 90° |
Cell volume | 12091.6 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0574 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.12 |
Weighted residual factors for all reflections included in the refinement | 0.1275 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4122610.html
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