Crystallography Open Database

Information card for entry 7245875

Preview

Coordinates	7245875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H90 Cl4 N6 O14 S6 Zn3
Calculated formula	C70 H90 Cl4 N6 O14 S6 Zn3
Title of publication	Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand
Authors of publication	Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	2
Pages of publication	290 - 298
a	11.6559 ± 0.0005 Å
b	11.4576 ± 0.0004 Å
c	30.1022 ± 0.0011 Å
α	90°
β	94.1818 ± 0.0012°
γ	90°
Cell volume	4009.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.08
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1851
Weighted residual factors for all reflections included in the refinement	0.1907
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
281440 (current)	2023-03-04	cif/ Updating files of 7245875, 7245876 Original log message: Adding full bibliography for 7245875--7245876.cif.	7245875.cif
279479	2022-11-23	cif/ Adding structures of 7245875, 7245876 via cif-deposit CGI script.	7245875.cif