Crystallography Open Database

Information card for entry 1557644

Preview

Coordinates	1557644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H192 In26 Mn4 N32 S51
Calculated formula	In26 Mn4 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	22.436 ± 0.004 Å
b	22.436 ± 0.004 Å
c	38.165 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	19211 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1645
Weighted residual factors for all reflections included in the refinement	0.2018
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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.	1557644.cif
251591	2020-05-05	cif/ Updating files of 1557644, 1557645 Original log message: Adding full bibliography for 1557644--1557645.cif.	1557644.cif
249642	2020-03-24	cif/ Adding structures of 1557644, 1557645 via cif-deposit CGI script.	1557644.cif