Crystallography Open Database

Information card for entry 7112844

Preview

Coordinates	7112844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H118 Ag3 B3 Cl4 F12 N12 O3
Calculated formula	C92 H108 Ag3 B3 Cl3.99 F12 N12 O3
Title of publication	A new chiral N-heterocyclic carbene silver(I) cylinder: synthesis, crystal structure and catalytic properties.
Authors of publication	Wang, Dehui; Zhang, Bingguang; He, Cheng; Wu, Pengyan; Duan, Chunying
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	26
Pages of publication	4728 - 4730
a	14.5393 ± 0.0003 Å
b	14.5393 ± 0.0003 Å
c	27.7615 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	5082.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.1394
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1978
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	0.877
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
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112844.cif
112119	2014-04-29	cif/ Adding structures of 7112844, 7112845 via cif-deposit CGI script.	7112844.cif