Crystallography Open Database

Information card for entry 4079787

Preview

Coordinates	4079787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 F3 N4 O2 Pt Si2
Calculated formula	C21.949 H29 F2.9991 N4 O2 Pt Si2
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	6.6502 ± 0.0012 Å
b	20.061 ± 0.004 Å
c	20.159 ± 0.004 Å
α	90°
β	93.427 ± 0.007°
γ	90°
Cell volume	2684.6 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0621
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4079787.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079787.cif
74058	2013-02-21	cif/ Adding structures of 4079786, 4079787, 4079788 via cif-deposit CGI script.	4079787.cif