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Information card for entry 7102421
Preview
Coordinates | 7102421.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H26 Fe2 N14 O2 Se2 |
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Calculated formula | C34 H26 Fe2 N14 O2 Se2 |
SMILES | C(=N[Fe]123(n4c(cc[n]4[Fe]45(N=C=[Se])(n6c(cc[n]26)c2cccc[n]42)[n]2[nH]ccc2c2[n]5cccc2)c2cccc[n]12)[n]1[nH]ccc1c1[n]3cccc1)=[Se].O.O |
Title of publication | Structure and magnetism of a new pyrazolate bridged iron(II) spin crossover complex displaying a single HS-HS to LS-LS transition. |
Authors of publication | Leita, Ben A; Moubaraki, Boujemaa; Murray, Keith S; Smith, Jonathan P; Cashion, John D |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2004 |
Journal issue | 2 |
Pages of publication | 156 - 157 |
a | 10.7857 ± 0.0002 Å |
b | 17.2422 ± 0.0004 Å |
c | 20.1713 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3751.24 ± 0.15 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1262 |
Residual factor for significantly intense reflections | 0.0687 |
Weighted residual factors for significantly intense reflections | 0.1887 |
Weighted residual factors for all reflections included in the refinement | 0.2367 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
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/7102421.html
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