Crystallography Open Database

Information card for entry 2312146

Preview

Coordinates	2312146.cif
Structure factors	2312146.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	μ-1,4-Bis(3-aminopropyl)piperazine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^4^,<i>N</i>^4'^-bis[bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)cadmium(II)]
Formula	C58 H132 Cd2 N4 O12 S4 Si4
Calculated formula	C58 H132 Cd2 N4 O12 S4 Si4
Title of publication	Solvent influence on the crystal structures of new cadmium tri-tert-butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity.
Authors of publication	Kowalkowska-Zedler, Daria; Bruździak, Piotr; Hnatejko, Zbigniew; Łyszczek, Renata; Brillowska-Dąbrowska, Anna; Ponikiewski, Łukasz; Cieśla, Bartosz; Pladzyk, Agnieszka
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2023
a	9.6433 ± 0.0002 Å
b	29.0546 ± 0.0004 Å
c	14.5665 ± 0.0002 Å
α	90°
β	91.466 ± 0.001°
γ	90°
Cell volume	4079.94 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0519
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
285018 (current)	2023-07-06	cif/ hkl/ Adding structures of 2312145, 2312146 via cif-deposit CGI script.	2312146.cif 2312146.hkl