Crystallography Open Database

Information card for entry 7716207

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Coordinates	7716207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Cl2 Fe N6 O8 S6
Calculated formula	C18 H12 Cl2 Fe N6 O8 S6
Title of publication	Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.
Authors of publication	Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	25
Pages of publication	10511 - 10520
a	17.25 ± 0.0003 Å
b	9.8245 ± 0.0002 Å
c	16.8597 ± 0.0003 Å
α	90°
β	105.972 ± 0.002°
γ	90°
Cell volume	2746.96 ± 0.09 Å³
Cell temperature	300.5 ± 0.8 K
Ambient diffraction temperature	300.5 ± 0.8 K
Number of distinct elements	7
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	0.0419
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293080 (current)	2024-07-05	cif/ Updating files of 7716207, 7716208, 7716209, 7716210, 7716211, 7716212, 7716213 Original log message: Adding full bibliography for 7716207--7716213.cif.	7716207.cif
292106	2024-05-30	cif/ Adding structures of 7716207, 7716208, 7716209, 7716210, 7716211, 7716212, 7716213 via cif-deposit CGI script.	7716207.cif