Crystallography Open Database

Information card for entry 7061271

Preview

Coordinates	7061271.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Fe-bpc
Formula	C21 H21 Cl2 Fe N5 O5.5
Calculated formula	C21 H21 Cl2 Fe N5 O5.5
Title of publication	A mono-oxo-bridged binuclear iron(iii) complex with a Fe–O–Fe angle of 180.0° and its catalytic activity for hydrogen evolution
Authors of publication	Sun, Xia-Xing; Du, Juan; Tan, Jie-Jie; Zhan, Shu-Zhong
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	8
Pages of publication	3794 - 3799
a	9.6244 ± 0.0005 Å
b	10.9915 ± 0.0005 Å
c	12.4372 ± 0.0006 Å
α	70.037 ± 0.004°
β	71.256 ± 0.004°
γ	81.851 ± 0.004°
Cell volume	1170.29 ± 0.11 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0661
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1846
Weighted residual factors for all reflections included in the refinement	0.1885
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273380 (current)	2022-03-05	cif/ Updating files of 7061271 Original log message: Adding full bibliography for 7061271.cif.	7061271.cif
272535	2022-02-04	cif/ Adding structures of 7061271 via cif-deposit CGI script.	7061271.cif