Crystallography Open Database

Information card for entry 7232028

7232027 << 7232028 >> 7232029

Preview

Coordinates	7232028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H17 Fe2 O5 P S2
Calculated formula	C12 H17 Fe2 O5 P S2
Title of publication	The influence of phosphine ligand substituted [2Fe2S] model complexes as electro-catalyst on proton reduction
Authors of publication	Zhang, Xia; Ma, Xiaoyuan; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Zhang, Guanghui; Hai, Li; Wang, Jingchao; Shao, Xiao
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	74
Pages of publication	42262
a	23.9678 ± 0.0004 Å
b	11.62457 ± 0.00018 Å
c	12.7424 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3550.23 ± 0.1 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.017
Residual factor for significantly intense reflections	0.0157
Weighted residual factors for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.0415
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
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
212672 (current)	2018-12-20	cif/ Adding structures of 7232028, 7232029 via cif-deposit CGI script.	7232028.cif