Crystallography Open Database

Information card for entry 7241138

Preview

Coordinates	7241138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H17 Cl3 F3 Fe N4 O3 S
Calculated formula	C12 H17 Cl3 F3 Fe N4 O3 S
Title of publication	Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties
Authors of publication	Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	52
Pages of publication	31165 - 31170
a	6.9779 ± 0.0004 Å
b	10.3829 ± 0.0006 Å
c	13.9933 ± 0.0008 Å
α	90°
β	97.673 ± 0.002°
γ	90°
Cell volume	1004.75 ± 0.1 Å³
Cell temperature	100.01 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	8
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0267
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.0497
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258042 (current)	2020-10-06	cif/ Updating files of 7241133, 7241134, 7241135, 7241136, 7241137, 7241138 Original log message: Adding full bibliography for 7241133--7241138.cif.	7241138.cif
255685	2020-08-27	cif/ Adding structures of 7241133, 7241134, 7241135, 7241136, 7241137, 7241138 via cif-deposit CGI script.	7241138.cif