Crystallography Open Database

Information card for entry 4348540

Preview

Coordinates	4348540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 Ag2 F6 N6 O10 S2
Calculated formula	C44 H42 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@@H](C(C)C)COC=4c4cccc(C5=[N]([C@H](CO5)C(C)C)[Ag]2)n4)n3)O1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
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	18.8039 ± 0.0003 Å
b	12.5654 ± 0.0001 Å
c	21.0568 ± 0.0003 Å
α	90°
β	111.442 ± 0.002°
γ	90°
Cell volume	4630.92 ± 0.12 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	4348540.cif