Crystallography Open Database

Information card for entry 7243094

Preview

Coordinates	7243094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 Cd N6 O9 S
Calculated formula	C30 H24 Cd N6 O9 S
Title of publication	Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties
Authors of publication	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	31
Pages of publication	5293 - 5305
a	6.0668 ± 0.0004 Å
b	25.6268 ± 0.0015 Å
c	19.263 ± 0.0012 Å
α	90°
β	93.306 ± 0.002°
γ	90°
Cell volume	2989.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.202
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
268668 (current)	2021-09-06	cif/ Updating files of 7243093, 7243094, 7243095, 7243096, 7243097, 7243098, 7243099 Original log message: Adding full bibliography for 7243093--7243099.cif.	7243094.cif
266649	2021-06-24	cif/ Adding structures of 7243093, 7243094, 7243095, 7243096, 7243097, 7243098, 7243099 via cif-deposit CGI script.	7243094.cif