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Information card for entry 2300051
Preview
Coordinates | 2300051.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H48 B2 F8 N24 Zn |
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Calculated formula | C24 H48 B2 F8 N24 Zn |
SMILES | [B](F)(F)(F)[F-].[Zn]([n]1cn(CCC)nn1)([n]1cn(CCC)nn1)([n]1cn(CCC)nn1)([n]1cn(CCC)nn1)([n]1cn(CCC)nn1)[n]1cn(CCC)nn1.[B](F)(F)(F)[F-] |
Title of publication | The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~ |
Authors of publication | Hartmunt Spiering; Philipp Gutlich |
Journal of publication | Journal of Applied Crystallography |
Year of publication | 2004 |
Journal volume | 37 |
Journal issue | 4 |
Pages of publication | 589 - 595 |
a | 10.8429 ± 0.0007 Å |
b | 10.8429 ± 0.0007 Å |
c | 31.607 ± 0.003 Å |
α | 90 ± 0.005° |
β | 90 ± 0.005° |
γ | 120 ± 0.005° |
Cell volume | 3218.1 ± 0.5 Å3 |
Cell temperature | 10 ± 1 K |
Ambient diffraction temperature | 10 ± 1 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0263 |
Residual factor for significantly intense reflections | 0.0257 |
Weighted residual factors for all reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.061 |
Goodness-of-fit parameter for all reflections | 1.091 |
Goodness-of-fit parameter for significantly intense reflections | 1.101 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2300051.html
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