Crystallography Open Database

Information card for entry 7708533

Preview

Coordinates	7708533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 F8 Fe N4 O2 P
Calculated formula	C20 H22 F8 Fe N4 O2 P
SMILES	O1c2ccc(F)cc2C=[N]2CC[NH]3CC[NH]4CC[N]5=Cc6cc(F)ccc6O[Fe]12345.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.
Authors of publication	Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
a	15.707 ± 0.007 Å
b	11.11 ± 0.004 Å
c	12.636 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2205 ± 1.5 Å³
Cell temperature	104 ± 2 K
Ambient diffraction temperature	104 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
269885 (current)	2021-10-11	cif/ Adding structures of 7708533, 7708534, 7708535, 7708536, 7708537, 7708538, 7708539, 7708540 via cif-deposit CGI script.	7708533.cif