Crystallography Open Database

Information card for entry 7705231

Preview

Coordinates	7705231.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DES 6
Formula	C47 H49 Ag Cl2 N6 O2 P2 S0.12
Calculated formula	C52 H54 Ag Cl N4 O2 P2 S
SMILES	[Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[S]=C(N)N/N=C/c1cc(OC)c(OCCN2CCCCC2)cc1
Title of publication	Silver(I) complexes of 3-methoxy-4-hydroxybenzaldehyde thiosemicarbazones and triphenylphosphine: structural, cytotoxicity, and apoptotic studies.
Authors of publication	Silva, Débora E S; Becceneri, Amanda B.; Santiago, João V B; Gomes Neto, José A; Ellena, Javier; Cominetti, Márcia R; Pereira, José C M; Hannon, Michael J.; Netto, Adelino V. G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	45
Pages of publication	16474 - 16487
a	25.5169 ± 0.001 Å
b	10.2681 ± 0.0003 Å
c	43.641 ± 0.0013 Å
α	90°
β	102.951 ± 0.003°
γ	90°
Cell volume	11143.5 ± 0.7 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1286
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
260771 (current)	2021-01-07	cif/ Updating files of 7705230, 7705231 Original log message: Adding full bibliography for 7705230--7705231.cif.	7705231.cif
255506	2020-08-21	cif/ Adding structures of 7705230, 7705231 via cif-deposit CGI script.	7705231.cif