Crystallography Open Database

Information card for entry 4348539

Preview

Coordinates	4348539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H38 Ag2 F6 N6 O10 S2
Calculated formula	C52 H38 Ag2 F6 N6 O10 S2
SMILES	c12ccccc1C[C@@H]1[C@H]2[N]2=C(c3cccc(C4=[N]([C@@H]5[C@@H](Cc6ccccc56)O4)[Ag][N]4=C(c5cccc(C6=[N]([C@H]7c8ccccc8C[C@H]7O6)[Ag]2)n5)O[C@H]2[C@@H]4c4c(C2)cccc4)n3)O1.C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F
Title of publication	Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.
Authors of publication	Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	8794 - 8807
a	12.8183 ± 0.0002 Å
b	16.1215 ± 0.0002 Å
c	23.4147 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4838.65 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233068 (current)	2019-11-23	cif/ Adding structures of 4348538, 4348539, 4348540, 4348541, 4348542, 4348543, 4348544, 4348545 via cif-deposit CGI script.	4348539.cif