Crystallography Open Database

Information card for entry 1506862

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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

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