Crystallography Open Database

Information card for entry 4079994

Preview

Coordinates	4079994.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jfc164
Formula	C48.25 H63.5 N3 O0.75 Pt
Calculated formula	C48.25 H63.5 N3 O0.75 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	30.6088 ± 0.0012 Å
b	17.2715 ± 0.0004 Å
c	22.9158 ± 0.0009 Å
α	90°
β	130.382 ± 0.001°
γ	90°
Cell volume	9228.2 ± 0.6 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	5
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	0.0712
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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.	4079994.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079994.cif
74121	2013-02-21	cif/ Adding structures of 4079992, 4079993, 4079994 via cif-deposit CGI script.	4079994.cif