Crystallography Open Database

Information card for entry 7242404

Preview

Coordinates	7242404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H122 N30 O54 S5 Zn5
Calculated formula	C117 H112 N30 O54 S4.984 Zn5
Title of publication	Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties
Authors of publication	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	19
Pages of publication	3434 - 3443
a	56.682 ± 0.011 Å
b	16.357 ± 0.003 Å
c	38.802 ± 0.008 Å
α	90°
β	131.77 ± 0.03°
γ	90°
Cell volume	26831 ± 15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
265951 (current)	2021-06-05	cif/ Updating files of 7242400, 7242401, 7242402, 7242403, 7242404 Original log message: Adding full bibliography for 7242400--7242404.cif.	7242404.cif
263016	2021-03-13	cif/ Adding structures of 7242400, 7242401, 7242402, 7242403, 7242404 via cif-deposit CGI script.	7242404.cif