Crystallography Open Database

Information card for entry 4079786

Preview

Coordinates	4079786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H140 Ag4 F24 N16 O16 Pt4 Si8
Calculated formula	C106 H140 Ag4 F24 N16 O16 Pt4 Si8
Title of publication	Synthesis, Characterization, Photoluminescence, and Simulations of a CCC-NHC-Supported Pt2Ag2Mixed-Metal Cluster Containing a PtAg2Metallacyclopropane
Authors of publication	Zhang, Xiaofei; Cao, Bei; Valente, Edward J.; Hollis, T. Keith
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	3
Pages of publication	752
a	15.2722 ± 0.0006 Å
b	15.7319 ± 0.0006 Å
c	16.6232 ± 0.0006 Å
α	65.227 ± 0.004°
β	86.256 ± 0.003°
γ	69.667 ± 0.004°
Cell volume	3385.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.0508
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
178686 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/97.	4079786.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079786.cif
74058	2013-02-21	cif/ Adding structures of 4079786, 4079787, 4079788 via cif-deposit CGI script.	4079786.cif