Crystallography Open Database

Information card for entry 1574957

Preview

Coordinates	1574957.cif
Original IUCr paper	HTML

Structure parameters

Common name	2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)
Chemical name	2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)
Formula	C36 H23 F12 N2 Nd O8 S4
Calculated formula	C36 H23 F12 N2 Nd O8 S4
Title of publication	2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ2 O,O′)neodymium(III)
Authors of publication	Bravo-Arredondo, José Manuel; Bernès, Sylvain; Mejía, Karen; Anzaldo, Bertin; Ramírez, Erick; Moro, David
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	6
Pages of publication	x250569
a	17.3191 ± 0.0004 Å
b	12.6547 ± 0.0002 Å
c	20.5387 ± 0.0004 Å
α	90°
β	103.772 ± 0.002°
γ	90°
Cell volume	4372.01 ± 0.15 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 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	0.052
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.56083 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1574957.cif
300260	2025-06-28	cif/ Adding structures of 1574957 via cif-deposit CGI script.	1574957.cif