Crystallography Open Database

Information card for entry 4069178

Preview

Coordinates	4069178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H91 Cl O4 P2 Pt Si4
Calculated formula	C54 H91 Cl O4 P2 Pt Si4
Title of publication	A 14-VE Platinum(0) Phosphabarrelene Complex in the Hydrosilylation of Alkynes
Authors of publication	Blug, Matthias; Le Goff, Xavier-Frederic; Mézailles, Nicolas; Le Floch, Pascal
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	8
Pages of publication	2360
a	19.77 ± 0.001 Å
b	17.431 ± 0.001 Å
c	17.693 ± 0.001 Å
α	90°
β	100.59 ± 0.001°
γ	90°
Cell volume	5993.3 ± 0.6 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
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	0.0718
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178580 (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 4/06/91.	4069178.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069178.cif
40165	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069178, 4069179 via cif-deposit CGI script.	4069178.cif