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Information card for entry 7037074
Preview
Coordinates | 7037074.cif |
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Original paper (by DOI) | HTML |
Formula | C110 H216 Fe16 N26 O55 |
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Calculated formula | C110 H216 Fe16 N26 O55 |
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 | 13.2984 ± 0.0006 Å |
b | 20.6844 ± 0.0009 Å |
c | 29.1684 ± 0.0012 Å |
α | 79.57 ± 0.001° |
β | 80.06 ± 0.001° |
γ | 86.16 ± 0.001° |
Cell volume | 7767 ± 0.6 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 | 0.0603 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for significantly intense reflections | 0.0944 |
Weighted residual factors for all reflections included in the refinement | 0.1049 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/7037074.html
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