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Information card for entry 4104950
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Coordinates | 4104950.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | SCOF-2rs.Et 100K |
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Formula | C36 H32 Fe N6 O7 S2 |
Calculated formula | C36 H32 Fe N6 O7 S2 |
Title of publication | Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material |
Authors of publication | Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 12106 - 12108 |
a | 14.4934 ± 0.0006 Å |
b | 14.5117 ± 0.0005 Å |
c | 17.8874 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3762.1 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.1209 |
Residual factor for significantly intense reflections | 0.1088 |
Weighted residual factors for significantly intense reflections | 0.2166 |
Weighted residual factors for all reflections included in the refinement | 0.226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
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/4104950.html
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