Crystallography Open Database

Information card for entry 7245876

Preview

Coordinates	7245876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H45 N3 O9 S3 Zn
Calculated formula	C39 H45 N3 O9 S3 Zn
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	16.4499 ± 0.0007 Å
b	25.8927 ± 0.0011 Å
c	9.3733 ± 0.0004 Å
α	90°
β	90.8495 ± 0.0012°
γ	90°
Cell volume	3992 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1085
Residual factor for significantly intense reflections	0.0964
Weighted residual factors for significantly intense reflections	0.2575
Weighted residual factors for all reflections included in the refinement	0.2677
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
281440 (current)	2023-03-04	cif/ Updating files of 7245875, 7245876 Original log message: Adding full bibliography for 7245875--7245876.cif.	7245876.cif
279479	2022-11-23	cif/ Adding structures of 7245875, 7245876 via cif-deposit CGI script.	7245876.cif