Crystallography Open Database

Information card for entry 4064024

Preview

Coordinates	4064024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 Cl6 P2 Pt
Calculated formula	C18 H30 Cl6 P2 Pt
SMILES	[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)(Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
Title of publication	Pt(PEt3)(κ2-P,C-PEt2CHMe)(C6Cl5): An Unexpected Intermediate in the Synthesis ofcis-Pt(PEt3)2(Cl)(C6Cl5)
Authors of publication	Robinson, Robert; Clarkson, Joseph M.; Moody, Morgan A.; Sharp, Paul R.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1730
a	8.8591 ± 0.001 Å
b	15.4076 ± 0.0017 Å
c	18.87 ± 0.002 Å
α	90°
β	92.796 ± 0.001°
γ	90°
Cell volume	2572.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178502 (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 4/06/40.	4064024.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064024.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064024.cif
32757	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064023, 4064024 via cif-deposit CGI script.	4064024.cif