Crystallography Open Database

Information card for entry 4080829

Preview

Coordinates	4080829.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ag[Ag(NHC)2].2H2O
Formula	C54 H68 Ag2 N4 Na2 O15 S4
Calculated formula	C54 H68 Ag2 N4 Na2 O15 S4
Title of publication	Sulfonated Water-Soluble N-Heterocyclic Carbene Silver(I) Complexes: Behavior in Aqueous Medium and as NHC-Transfer Agents to Platinum(II)
Authors of publication	Baquero, Edwin A.; Silbestri, Gustavo F.; Gómez-Sal, Pilar; Flores, Juan C.; de Jesús, Ernesto
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2814
a	11.119 ± 0.002 Å
b	17.365 ± 0.004 Å
c	18.3179 ± 0.0019 Å
α	90°
β	81.104 ± 0.014°
γ	90°
Cell volume	3494.3 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1421
Residual factor for significantly intense reflections	0.11
Weighted residual factors for significantly intense reflections	0.2993
Weighted residual factors for all reflections included in the refinement	0.3227
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation probe	x-ray
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
178697 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/08.	4080829.cif
87298	2013-07-14	cif/ Adding structures of 4080828, 4080829, 4080830, 4080831, 4080832 via cif-deposit CGI script.	4080829.cif