Crystallography Open Database

Information card for entry 7715469

Preview

Coordinates	7715469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H18 B Cl4 F4 Fe N4 O2
Calculated formula	C32 H18 B Cl4 F4 Fe N4 O2
SMILES	[Fe]1234([n]5c6c(ccc5)cccc6[N]1=Cc1cc(Cl)cc(Cl)c1O3)[n]1c3c(ccc1)cccc3[N]2=Cc1cc(Cl)cc(Cl)c1O4.[B](F)(F)([F-])F
Title of publication	Mononuclear Fe(III) complexes with 2,4-dichloro-6-((quinoline-8-ylimino)methyl)phenolate: synthesis, structure, and magnetic behavior.
Authors of publication	Jeong, Ah Rim; Park, Si Ra; Shin, Jong Won; Kim, Jihyun; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	15
Pages of publication	6809 - 6817
a	9.575 ± 0.0019 Å
b	12.544 ± 0.003 Å
c	16.518 ± 0.003 Å
α	94.12 ± 0.03°
β	103.45 ± 0.03°
γ	97.39 ± 0.03°
Cell volume	1902.8 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.0967
Weighted residual factors for significantly intense reflections	0.287
Weighted residual factors for all reflections included in the refinement	0.3042
Goodness-of-fit parameter for all reflections included in the refinement	1.5
Diffraction radiation wavelength	0.63 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291655 (current)	2024-05-05	cif/ Updating files of 7715466, 7715467, 7715468, 7715469, 7715470, 7715471 Original log message: Adding full bibliography for 7715466--7715471.cif.	7715469.cif
290538	2024-03-20	cif/ Adding structures of 7715466, 7715467, 7715468, 7715469, 7715470, 7715471 via cif-deposit CGI script.	7715469.cif