Crystallography Open Database

Information card for entry 4339380

Preview

Coordinates	4339380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 Ag F3 N4 O3 S
Calculated formula	C9 H6 Ag F3 N4 O3 S
Title of publication	Toward quartz and cristobalite: spontaneous resolution, structures, and characterization of chiral silica-mimetic silver(I)-organic materials.
Authors of publication	Luo, Tzuoo-Tsair; Liu, Yen-Hsiang; Chan, Chun-Chieh; Huang, Sheng-Ming; Chang, Bor-Chen; Lu, Yi-Long; Lee, Gene-Hsiang; Peng, Shih-Ming; Wang, Ju-Chun; Lu, Kuang-Lieh
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	24
Pages of publication	10044 - 10046
a	10.8161 ± 0.0001 Å
b	10.8161 ± 0.0001 Å
c	9.7482 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	987.635 ± 0.016 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179496 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/93.	4339380.cif
117301	2014-06-14	cif/ Adding structures of 4339380 via cif-deposit CGI script.	4339380.cif