Crystallography Open Database

Information card for entry 4513845

Preview

Coordinates	4513845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H7 F9 Fe2 O15 S5
Calculated formula	C11 H7 F9 Fe2 O15 S5
Title of publication	Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation
Authors of publication	Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	4
Pages of publication	2559
a	6.4147 ± 0.0004 Å
b	18.5996 ± 0.0011 Å
c	11.5206 ± 0.0006 Å
α	90°
β	104.145 ± 0.0013°
γ	90°
Cell volume	1332.85 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181413 (current)	2016-04-04	cif/ Updating files of 4513842, 4513843, 4513844, 4513845 Original log message: Adding full bibliography for 4513842--4513845.cif.	4513845.cif
178252	2016-03-18	cif/ Adding structures of 4513845 via cif-deposit CGI script.	4513845.cif