Crystallography Open Database

Information card for entry 7247422

Preview

Coordinates	7247422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 Cd N3 O7 S
Calculated formula	C18 H21 Cd N3 O7 S
Title of publication	Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties
Authors of publication	Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	40
Pages of publication	5673 - 5681
a	11.7573 ± 0.0006 Å
b	11.5545 ± 0.0007 Å
c	15.8209 ± 0.001 Å
α	90°
β	106.604 ± 0.002°
γ	90°
Cell volume	2059.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0458
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
287347 (current)	2023-11-06	cif/ Updating files of 7247422, 7247423, 7247424, 7247425 Original log message: Adding full bibliography for 7247422--7247425.cif.	7247422.cif
286451	2023-09-22	cif/ Adding structures of 7247422, 7247423, 7247424, 7247425 via cif-deposit CGI script.	7247422.cif