Crystallography Open Database

Information card for entry 1557645

Preview

Coordinates	1557645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H192 Fe4 In26 N32 O0 S51
Calculated formula	Fe4 In26 S51
Title of publication	Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters
Authors of publication	Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	16
Pages of publication	4085 - 4096
a	22.329 ± 0.002 Å
b	22.329 ± 0.002 Å
c	38.059 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	18976 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1319
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2055
Weighted residual factors for all reflections included in the refinement	0.264
Goodness-of-fit parameter for all reflections included in the refinement	1.326
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
257333 (current)	2020-10-06	cif/ Updating files of 1557644, 1557645 Original log message: Adding full bibliography for 1557644--1557645.cif.	1557645.cif
251591	2020-05-05	cif/ Updating files of 1557644, 1557645 Original log message: Adding full bibliography for 1557644--1557645.cif.	1557645.cif
249642	2020-03-24	cif/ Adding structures of 1557644, 1557645 via cif-deposit CGI script.	1557645.cif