Crystallography Open Database

Information card for entry 4075550

Preview

Coordinates	4075550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H20 Ag2 F36 N6
Calculated formula	C46 H20 Ag2 F36 N6
SMILES	[Ag]1([N]2(C(=CC(C(F)(F)F)=[N]1([Ag]21[N](=C(C(F)(F)F)C=C(C(F)(F)F)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)([N]#CC)[N]#CC
Title of publication	Monomeric Silver(I) β-Diketiminate Complexes
Authors of publication	Chiong, Hendrich A.; Daugulis, Olafs
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	17
Pages of publication	4054
a	12.499 ± 0.0011 Å
b	13.1051 ± 0.0011 Å
c	19.24 ± 0.002 Å
α	98.997 ± 0.001°
β	99.35 ± 0.001°
γ	116.194 ± 0.001°
Cell volume	2696.1 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4075550.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4075550.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075550.cif
49304	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075550 via cif-deposit CGI script.	4075550.cif