Crystallography Open Database

Information card for entry 4348919

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Coordinates	4348919.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate
Formula	C24 H22 Cl2 Fe N10 O8 S2
Calculated formula	C24 H22 Cl2 Fe N10 O8 S2
Title of publication	Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes
Authors of publication	Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	7
Pages of publication	662
a	54.8011 ± 0.0019 Å
b	10.6074 ± 0.0003 Å
c	16.3787 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9520.9 ± 0.5 Å³
Cell temperature	280 ± 2 K
Ambient diffraction temperature	280 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1097
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2019
Weighted residual factors for all reflections included in the refinement	0.2215
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233490 (current)	2019-11-23	cif/ Adding structures of 4348918, 4348919, 4348920, 4348921, 4348922 via cif-deposit CGI script.	4348919.cif