Crystallography Open Database

Information card for entry 4068597

Preview

Coordinates	4068597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H59 F3 N2 O3 P3 Pt S
Calculated formula	C60 H59 F3 N2 O3 P3 Pt S
Title of publication	Phospha-Fischer Carbenes: Synthesis, Structure, Bonding, and Reactions of Pd(0)− and Pt(0)−Phosphenium Complexes
Authors of publication	Caputo, Christine A.; Jennings, Michael C.; Tuononen, Heikki M.; Jones, Nathan D.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	4
Pages of publication	990
a	12.8036 ± 0.0003 Å
b	13.6072 ± 0.0003 Å
c	16.6623 ± 0.0005 Å
α	76.956 ± 0.001°
β	75.841 ± 0.002°
γ	88.363 ± 0.002°
Cell volume	2741.02 ± 0.12 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	0.0424
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
178575 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/85.	4068597.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068597.cif
39894	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068597 via cif-deposit CGI script.	4068597.cif