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Information card for entry 7037075
Preview
Coordinates | 7037075.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H84 Fe8 N12 O24 |
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Calculated formula | C42 H84 Fe8 N12 O24 |
Title of publication | Iron(iii) carboxylate/aminoalcohol coordination clusters with propeller-shaped Fe8 cores: approaching reasonable exchange energies. |
Authors of publication | Botezat, Olga; van Leusen, Jan; Ch Kravtsov, Victor; Ellern, Arkady; Kögerler, Paul; Baca, Svetlana G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 47 |
Pages of publication | 20753 - 20762 |
a | 13.616 ± 0.005 Å |
b | 14.653 ± 0.005 Å |
c | 18.767 ± 0.006 Å |
α | 97.8 ± 0.005° |
β | 101.667 ± 0.005° |
γ | 114.859 ± 0.005° |
Cell volume | 3222.9 ± 1.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0779 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.106 |
Weighted residual factors for all reflections included in the refinement | 0.1219 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/7037075.html
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