Crystallography Open Database

Information card for entry 7247424

Preview

Coordinates	7247424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cd N4 O6 S4
Calculated formula	C16 H22 Cd N4 O6 S4
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	5.73025 ± 0.00007 Å
b	8.1274 ± 0.00011 Å
c	12.86566 ± 0.00018 Å
α	74.1108 ± 0.0012°
β	89.5736 ± 0.0011°
γ	84.1958 ± 0.0011°
Cell volume	573.204 ± 0.014 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation probe	x-ray
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.	7247424.cif
286451	2023-09-22	cif/ Adding structures of 7247422, 7247423, 7247424, 7247425 via cif-deposit CGI script.	7247424.cif