Crystallography Open Database

Information card for entry 7241134

Preview

Coordinates	7241134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H17 Cl2 F3 Fe N5 O5 S
Calculated formula	C12 H17 Cl2 F3 Fe N5 O5 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	27.529 ± 0.0009 Å
b	10.302 ± 0.0003 Å
c	7.0168 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1989.99 ± 0.1 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	8
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.213
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.	7241134.cif
255685	2020-08-27	cif/ Adding structures of 7241133, 7241134, 7241135, 7241136, 7241137, 7241138 via cif-deposit CGI script.	7241134.cif