Crystallography Open Database

Information card for entry 7242400

Preview

Coordinates	7242400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 N12 O12 S2 Zn2
Calculated formula	C44 H36 N12 O12 S2 Zn2
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	10.1005 ± 0.0002 Å
b	14.618 ± 0.0004 Å
c	19.371 ± 0.0005 Å
α	90°
β	96.553 ± 0.001°
γ	90°
Cell volume	2841.42 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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.	7242400.cif
263016	2021-03-13	cif/ Adding structures of 7242400, 7242401, 7242402, 7242403, 7242404 via cif-deposit CGI script.	7242400.cif