Crystallography Open Database

Information card for entry 7062970

Preview

Coordinates	7062970.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(μ2-2-(bis(2-Pyridylmethyl)amino)ethanethiolato-N,N',N",S)-di-cadmium(ii) chloride methanol solvate
Formula	C29 H36 Cd2 Cl2 N6 O S2
Calculated formula	C29 H36 Cd2 Cl2 N6 O S2
Title of publication	Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand
Authors of publication	Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	6
Pages of publication	2547 - 2557
a	21.3846 ± 0.0007 Å
b	9.4379 ± 0.0003 Å
c	16.6623 ± 0.0005 Å
α	90°
β	101.61 ± 0.001°
γ	90°
Cell volume	3294.08 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0662
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
290233 (current)	2024-03-04	cif/ Updating files of 7062968, 7062969, 7062970, 7062971 Original log message: Adding full bibliography for 7062968--7062971.cif.	7062970.cif
289069	2024-01-13	cif/ Adding structures of 7062968, 7062969, 7062970, 7062971 via cif-deposit CGI script.	7062970.cif