Crystallography Open Database

Information card for entry 4079788

Preview

Coordinates	4079788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H29 Cl N4 Pt Si2
Calculated formula	C20 H29 Cl N4 Pt Si2
SMILES	C12N(C=CN1c1c3[Pt]=2(Cl)=C2N(C=CN2c3ccc1)C[Si](C)(C)C)C[Si](C)(C)C
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	6.2984 ± 0.0002 Å
b	19.4917 ± 0.0006 Å
c	19.4312 ± 0.0007 Å
α	90°
β	91.865 ± 0.003°
γ	90°
Cell volume	2384.24 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0379
Weighted residual factors for all reflections included in the refinement	0.0385
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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.	4079788.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079788.cif
74058	2013-02-21	cif/ Adding structures of 4079786, 4079787, 4079788 via cif-deposit CGI script.	4079788.cif