Crystallography Open Database

Information card for entry 4342980

Preview

Coordinates	4342980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H46 F12 Fe N4
Calculated formula	C38 H46 F12 Fe N4
Title of publication	Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution.
Authors of publication	Liu, Yuesheng; Luo, Lun; Xiao, Jie; Wang, Lei; Song, You; Qu, Jingping; Luo, Yi; Deng, Liang
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	10
Pages of publication	4752 - 4760
a	13.5482 ± 0.0016 Å
b	20.988 ± 0.002 Å
c	14.3349 ± 0.0016 Å
α	90°
β	90.475 ± 0.002°
γ	90°
Cell volume	4076 ± 0.8 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
138126 (current)	2015-06-05	cif/ Updating files of 4342978, 4342979, 4342980, 4342981 Original log message: Adding full bibliography for 4342978--4342981.cif.	4342980.cif
136760	2015-05-18	cif/ Adding structures of 4342978, 4342979, 4342980, 4342981 via cif-deposit CGI script.	4342980.cif