Crystallography Open Database

Information card for entry 7022141

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Coordinates	7022141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H56 Ag2 N6 P4 S2
Calculated formula	C70 H56 Ag2 N6 P4 S2
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	22.9 ± 0.0005 Å
b	11.7896 ± 0.0002 Å
c	22.6981 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6128.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7022141.cif
89989	2013-11-17	cif/ Adding structures of 7022139, 7022140, 7022141, 7022142, 7022143, 7022144, 7022145, 7022146, 7022147 via cif-deposit CGI script.	7022141.cif