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Information card for entry 7045874
Preview
Coordinates | 7045874.cif |
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Original paper (by DOI) | HTML |
Formula | C4.5 H6 B0.33 F1.33 Fe0.17 N4 |
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Calculated formula | C4.5 H6 B0.333333 F1.33333 Fe0.166667 N4 |
Title of publication | Cooperativity in spin crossover materials as ligand's responsibility - investigations of the Fe(ii) - 1,3-bis((1H-tetrazol-1-yl)methyl)bicyclo[1.1.1]pentane system. |
Authors of publication | Knoll, Christian; Müller, Danny; Seifried, Marco; Giester, Gerald; Welch, Jan M.; Artner, Werner; Hradil, Klaudia; Reissner, Michael; Weinberger, Peter |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 16 |
Pages of publication | 5553 - 5557 |
a | 11.3101 ± 0.0016 Å |
b | 11.3101 ± 0.0016 Å |
c | 19.393 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2148.4 ± 0.6 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 165 |
Hermann-Mauguin space group symbol | P -3 c 1 |
Hall space group symbol | -P 3 2"c |
Residual factor for all reflections | 0.0634 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.1324 |
Weighted residual factors for all reflections included in the refinement | 0.1393 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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