Crystallography Open Database

Information card for entry 4070647

Preview

Coordinates	4070647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H51 Cl P2 Pd2 Si
Calculated formula	C49 H51 Cl P2 Pd2 Si
SMILES	[Pd]123([Pd]4([Cl]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[C]3(C2(C)C)=C4C#C[Si](CC)(CC)CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Mono- and Dipalladium Movement on the π-Conjugated Five-Carbon Chain
Authors of publication	Takahashi, Yoshiteru; Tsutsumi, Ken; Nakagai, Yuzo; Morimoto, Tsumoru; Kakiuchi, Kiyomi; Ogoshi, Sensuke; Kurosawa, Hideo
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	2
Pages of publication	276
a	9.161 ± 0.004 Å
b	15.238 ± 0.006 Å
c	18.554 ± 0.009 Å
α	94.636 ± 0.018°
β	97.931 ± 0.018°
γ	91.766 ± 0.015°
Cell volume	2555 ± 2 Å³
Cell temperature	296.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4070647.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070647.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070647.cif
42615	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070647 via cif-deposit CGI script.	4070647.cif