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Information card for entry 7040054
Preview
Coordinates | 7040054.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C132 H126 Cl8 Fe2 N26 O32 Zn2 |
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Calculated formula | C132 H126 Cl8 Fe2 N26 O32 Zn2 |
Title of publication | (1)H NMR spectroscopic elucidation in solution of the kinetics and thermodynamics of spin crossover for an exceptionally robust Fe(2+) complex. |
Authors of publication | Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Speck, J Matthäus; Rüffer, Tobias; Schaarschmidt, Dieter |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 35 |
Pages of publication | 13798 - 13809 |
a | 14.5861 ± 0.0003 Å |
b | 13.0946 ± 0.0003 Å |
c | 17.1156 ± 0.0003 Å |
α | 90° |
β | 99.518 ± 0.002° |
γ | 90° |
Cell volume | 3224.06 ± 0.12 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 7 |
Space group number | 5 |
Hermann-Mauguin space group symbol | I 1 2 1 |
Hall space group symbol | I 2y |
Residual factor for all reflections | 0.0361 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0809 |
Weighted residual factors for all reflections included in the refinement | 0.084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7040054.html
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