Crystallography Open Database

Information card for entry 1569599

Preview

Coordinates	1569599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 Cd2 N8 S6
Calculated formula	C22 Cd2 N8 S6
Title of publication	Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.
Authors of publication	Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	34
Pages of publication	9041 - 9047
a	9.8887 ± 0.0005 Å
b	16.6064 ± 0.0006 Å
c	10.7989 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1773.35 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
286072 (current)	2023-09-05	cif/ Updating files of 1569598, 1569599, 1569600, 1569601, 1569602, 1569603, 1569604 Original log message: Adding full bibliography for 1569598--1569604.cif.	1569599.cif
285410	2023-08-02	cif/ Adding structures of 1569598, 1569599, 1569600, 1569601, 1569602, 1569603, 1569604 via cif-deposit CGI script.	1569599.cif