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Information card for entry 7706335
Preview
Coordinates | 7706335.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H30 Cl2 N12 O8 Zn |
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Calculated formula | C36 H30 Cl2 N12 O8 Zn |
Title of publication | Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it? |
Authors of publication | Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 4 |
Pages of publication | 1206 - 1223 |
a | 10.1894 ± 0.0003 Å |
b | 10.1894 ± 0.0003 Å |
c | 20.0955 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1806.87 ± 0.12 Å3 |
Cell temperature | 180 ± 0.1 K |
Ambient diffraction temperature | 180 ± 0.1 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 | 0.0708 |
Residual factor for significantly intense reflections | 0.0658 |
Weighted residual factors for significantly intense reflections | 0.1578 |
Weighted residual factors for all reflections included in the refinement | 0.1609 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7706335.html
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Users of the data should acknowledge the original authors of the
structural data.