Crystallography Open Database

Information card for entry 4114561

Preview

Coordinates	4114561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H93 Ag2 F6 N6 O10 S2
Calculated formula	C67 H91 Ag2 F6 N6 O10 S2
Title of publication	Efficient Aziridination of Olefins Catalyzed by a Unique Disilver(I) Compound
Authors of publication	Yong Cui; Chuan He
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	16202 - 16203
a	16.194 ± 0.003 Å
b	14.666 ± 0.003 Å
c	30.836 ± 0.005 Å
α	90°
β	104.752 ± 0.003°
γ	90°
Cell volume	7082 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0771
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.157
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.271
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
178916 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/45.	4114561.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114561.cif
67889	2012-10-05	cif/ Adding structures of 4114561 via cif-deposit CGI script.	4114561.cif