Crystallography Open Database

Information card for entry 1506862

Preview

Coordinates	1506862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H124 Cl2 P8 Pd2 Pt2
Calculated formula	C62 H124 Cl2 P8 Pd2 Pt2
SMILES	[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)(C#Cc1cccc(c1)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#C[Pd](Cl)([P](CC)(CC)CC)[P](CC)(CC)CC)C#C[Pd](Cl)([P](CC)(CC)CC)[P](CC)(CC)CC
Title of publication	Di- and Trifunctional Initiators Containing Pt−Pd μ-Ethynediyl Units for Living Polymerization of Aryl Isocyanides
Authors of publication	Onitsuka, Kiyotaka; Yabe, Ken-ichiro; Ohshiro, Nobuaki; Shimizu, Atsushi; Okumura, Reiko; Takei, Fumie; Takahashi, Shigetoshi
Journal of publication	Macromolecules
Year of publication	2004
Journal volume	37
Journal issue	22
Pages of publication	8204
a	21.303 ± 0.003 Å
b	38.332 ± 0.005 Å
c	19.564 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	15976 ± 3 Å³
Cell temperature	203.2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506862.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506862.cif
51500	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506862 via cif-deposit CGI script.	1506862.cif