Crystallography Open Database

Information card for entry 4079992

Preview

Coordinates	4079992.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jfc196
Formula	C54.25 H84.5 F6 N4 O0.75 Pt
Calculated formula	C52 H80 F6 N4 Pt
Title of publication	New Trans-Configured Acetylide‒Cyanide Platinum(II) Anions: Spectroscopic and Optical Studies
Authors of publication	Berenguer, Jesús R.; Fernández, Julio; Lalinde, Elena; Sánchez, Sergio
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	3
Pages of publication	835
a	16.9621 ± 0.0008 Å
b	16.9621 ± 0.0008 Å
c	20.3077 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5842.8 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4079992.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079992.cif
74121	2013-02-21	cif/ Adding structures of 4079992, 4079993, 4079994 via cif-deposit CGI script.	4079992.cif