Crystallography Open Database

Information card for entry 7022146

Preview

Coordinates	7022146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H136.5 Ag4 N5.5 P4 S4
Calculated formula	C79 H136.5 Ag4 N5.5 P4 S4
Title of publication	Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4.
Authors of publication	Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	1
Pages of publication	277 - 291
a	14.432 ± 0.005 Å
b	14.422 ± 0.005 Å
c	11.203 ± 0.001 Å
α	95.85 ± 0.03°
β	107.33 ± 0.02°
γ	94.05 ± 0.03°
Cell volume	2201.8 ± 1.1 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.113
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.605
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7022146.cif
89989	2013-11-17	cif/ Adding structures of 7022139, 7022140, 7022141, 7022142, 7022143, 7022144, 7022145, 7022146, 7022147 via cif-deposit CGI script.	7022146.cif