Crystallography Open Database

Information card for entry 7062060

7062059 << 7062060 >> 7062061

Preview

Coordinates	7062060.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ROX-103
Formula	C36 H44 Ag2 F12 N6 O14 S4 Se2
Calculated formula	C36 H44 Ag2 F12 N6 O14 S4 Se2
Title of publication	On the coordination behaviour of diorganoselenium ligands based on amino and azole functionalities: silver(i) complexes with relevance for biological applications
Authors of publication	Popa, Roxana A.; David, Maria; Licarete, Emilia; Banciu, Manuela; Silvestru, Anca
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	48
Pages of publication	23019 - 23029
a	9.8868 ± 0.0004 Å
b	8.8596 ± 0.0003 Å
c	28.9794 ± 0.0011 Å
α	90°
β	91.637 ± 0.001°
γ	90°
Cell volume	2537.36 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0363
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
280207 (current)	2023-01-06	cif/ Updating files of 7062059, 7062060, 7062061, 7062062 Original log message: Adding full bibliography for 7062059--7062062.cif.	7062060.cif
279054	2022-11-08	cif/ Adding structures of 7062059, 7062060, 7062061, 7062062 via cif-deposit CGI script.	7062060.cif