Crystallography Open Database

Information card for entry 7716825

Preview

Coordinates	7716825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 F6 Fe N4 O6 S4
Calculated formula	C26 H16 F6 Fe N4 O6 S4
Title of publication	Hydrogen evolution driven by heteroatoms of bidentate N-heterocyclic ligands in iron(II) complexes.
Authors of publication	Keszei, Soma; Wang, Yiqing; Zhou, Haotian; Ollár, Tamás; Kováts, Éva; Frey, Krisztina; Tapasztó, Levente; Shen, Shaohua; Pap, József Sándor
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	35
Pages of publication	14817 - 14829
a	8.3143 ± 0.0003 Å
b	18.4365 ± 0.0005 Å
c	21.3177 ± 0.0007 Å
α	108.81 ± 0.002°
β	99.028 ± 0.003°
γ	100.433 ± 0.002°
Cell volume	2959.58 ± 0.18 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1557
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295265 (current)	2024-10-06	cif/ Updating files of 7716825 Original log message: Adding full bibliography for 7716825.cif.	7716825.cif
294045	2024-08-08	cif/ Adding structures of 7716825 via cif-deposit CGI script.	7716825.cif