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Information card for entry 4301968
Preview
Coordinates | 4301968.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H68 F24 Fe4 N20 P4 |
---|---|
Calculated formula | C88 F24 Fe4 N20 P4 |
SMILES | c1ccc2c3c4c(cc2)ccc[n]4[Fe]24([n]13)([n]1cccc3c1c1[n]2cccc1cc3)C#[N][Fe]123([n]5ccccc5C[N]2(Cc2[n]1cccc2)Cc1cccc[n]31)[N]#C[Fe]12([n]3cccc5c3c3c(cc5)ccc[n]13)([n]1cccc3c1c1[n]2cccc1cc3)C#[N][Fe]123([N]#C4)[n]4ccccc4C[N]1(Cc1[n]2cccc1)Cc1cccc[n]31.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Polynuclear Spin Crossover Complexes: Synthesis, Structure, and Magnetic Behavior of [Fe4(μ-CN)4(phen)4(L)2)]4+ Squares |
Authors of publication | Ishtvan Boldog; Francisco J. Muñoz-Lara; Ana B. Gaspar; M. Carmen Muñoz; Maksym Seredyuk; José A. Real |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 3710 - 3719 |
a | 28.444 ± 0.0013 Å |
b | 12.834 ± 0.0017 Å |
c | 30.446 ± 0.003 Å |
α | 90° |
β | 116.39 ± 0.003° |
γ | 90° |
Cell volume | 9956.1 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.389 |
Residual factor for significantly intense reflections | 0.1516 |
Weighted residual factors for significantly intense reflections | 0.3245 |
Weighted residual factors for all reflections included in the refinement | 0.4434 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/4301968.html
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