Crystallography Open Database

Information card for entry 7241136

Preview

Coordinates	7241136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H19.161 Cl3 Fe N4 O1.907
Calculated formula	C11 H19.16 Cl3 Fe N4 O1.91
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	6.8687 ± 0.0002 Å
b	8.6082 ± 0.0002 Å
c	13.7369 ± 0.0004 Å
α	80.288 ± 0.002°
β	81.571 ± 0.002°
γ	88.256 ± 0.002°
Cell volume	791.92 ± 0.04 Å³
Cell temperature	102.49 K
Ambient diffraction temperature	102.49 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.0563
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
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.	7241136.cif
255685	2020-08-27	cif/ Adding structures of 7241133, 7241134, 7241135, 7241136, 7241137, 7241138 via cif-deposit CGI script.	7241136.cif