Crystallography Open Database

Information card for entry 4115641

Preview

Coordinates	4115641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H40 Ag31 F69 N7 O48.5
Calculated formula	C75 Ag31 F69 N7 O48.5
Title of publication	Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates
Authors of publication	Quan-Ming Wang; Thomas C. W. Mak
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	7594 - 7600
a	17.205 ± 0.002 Å
b	32.735 ± 0.004 Å
c	27.257 ± 0.004 Å
α	90°
β	106.021 ± 0.003°
γ	90°
Cell volume	14755 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1502
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1559
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115641.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115641.cif
69243	2012-12-04	cif/ Adding structures of 4115641 via cif-deposit CGI script.	4115641.cif