Crystallography Open Database

Information card for entry 4110847

Preview

Coordinates	4110847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H80 Cl2 O2 P4 Pt2
Calculated formula	C52 H80 Cl2 O2 P4 Pt2
SMILES	[Pt](Cl)([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc1ccc2c(c(OCC)ccc2c1)c1c2ccc(cc2ccc1OCC)C#C[Pt](Cl)([P](CC)(CC)CC)[P](CC)(CC)CC
Title of publication	Directed Assembly of Mesoscopic Metallocycles with Controllable Size, Chirality, and Functionality Based on the Robust Pt-Alkynyl Linkage
Authors of publication	Hua Jiang; Wenbin Lin
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	11286 - 11297
a	22.202 ± 0.019 Å
b	26.62 ± 0.02 Å
c	38.95 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	23020 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1931
Residual factor for significantly intense reflections	0.099
Weighted residual factors for significantly intense reflections	0.1905
Weighted residual factors for all reflections included in the refinement	0.2144
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
178879 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/08.	4110847.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110847.cif
89308	2013-10-20	smi/4 Adding SMILES of phosphane complexes	4110847.cif
59699	2012-06-13	cif/ Adding structures of 4110847 via cif-deposit CGI script.	4110847.cif