Crystallography Open Database

Information card for entry 4129247

Preview

Coordinates	4129247.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DF489
Formula	C64 H92 Ag2 F6 N7 O8 P S2
Calculated formula	C64 H92 Ag2 F6 N7 O8 P S2
SMILES	[Ag](N([Ag]OS(=O)(=O)C(F)(F)F)P(N=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)N=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)OS(=O)(=O)C(F)(F)F.C1CCCO1.C1CCCO1
Title of publication	Isolation of bridging and terminal coinage metal-nitrene complexes.
Authors of publication	Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	10
Pages of publication	3800 - 3802
a	12.4071 ± 0.0005 Å
b	12.6841 ± 0.0005 Å
c	23.857 ± 0.0009 Å
α	98.235 ± 0.002°
β	98.559 ± 0.002°
γ	106.927 ± 0.002°
Cell volume	3482 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
240017 (current)	2019-11-25	cif/ Adding structures of 4129246, 4129247, 4129248, 4129249 via cif-deposit CGI script.	4129247.cif