Crystallography Open Database

Information card for entry 7250864

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Coordinates	7250864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H8 Ag2 Fe N6
Calculated formula	C43 H8 Ag2 Fe N6
Title of publication	Raman scattering and X-ray diffraction study of the temperature- and pressure-induced multistep spin transition in the complex {FeII(AnPy)2[AgI(CN)2]2]}·NO2bz
Authors of publication	Remili, Yasmine; Nasimsobhan, Maryam; Turo-Cortés, Rubén; Vendier, Laure; Bartual-Murgui, Carlos; Molnár, Gábor; Bousseksou, Azzedine; Real Cabezos, José Antonio
Journal of publication	Physical Chemistry Chemical Physics
Year of publication	2025
a	14.3771 ± 0.0017 Å
b	22.028 ± 0.006 Å
c	14.8097 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4690.2 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	66
Hermann-Mauguin space group symbol	C c c m
Hall space group symbol	-C 2 2c
Residual factor for all reflections	0.2254
Residual factor for significantly intense reflections	0.1024
Weighted residual factors for significantly intense reflections	0.2653
Weighted residual factors for all reflections included in the refinement	0.3359
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
302175 (current)	2025-09-18	cif/ Adding structures of 7250864, 7250865 via cif-deposit CGI script.	7250864.cif