Crystallography Open Database

Information card for entry 2312145

Preview

Coordinates	2312145.cif
Structure factors	2312145.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)cadmium(II)]-μ-μ-1,4-bis(3-aminopropyl)piperazine-κ^2^<i>N</i>^1'^:<i>N</i>^4'^]
Formula	C34 H78 Cd N4 O6 S2 Si2
Calculated formula	C34 H78 Cd N4 O6 S2 Si2
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	16.424 ± 0.005 Å
b	16.876 ± 0.004 Å
c	18.265 ± 0.005 Å
α	90°
β	112.66 ± 0.02°
γ	90°
Cell volume	4672 ± 2 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	0.0495
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	2312145.cif 2312145.hkl