Crystallography Open Database

Information card for entry 4108418

Preview

Coordinates	4108418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H93 B F20 N2 O2 Pd Si2
Calculated formula	C107 H93 B F20 N2 O2 Pd Si2
SMILES	[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(c(cccc1C(C)C)C(C)C)[N]1=C(C(C)=[N]([Pd]231C[CH]2=[CH]3[C@@H](C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)C.c1ccccc1.c1ccccc1
Title of publication	Multiple Insertion of a Silyl Vinyl Ether by (α-Diimine)PdMe+ Species
Authors of publication	Changle Chen; Shuji Luo; Richard F. Jordan
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	12892 - 12893
a	12.68 ± 0.008 Å
b	13.926 ± 0.009 Å
c	14.868 ± 0.009 Å
α	90.3 ± 0.011°
β	111.83 ± 0.01°
γ	95.895 ± 0.011°
Cell volume	2422 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
178830 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/84.	4108418.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108418.cif
56772	2012-05-15	cif/ Adding structures of 4108418 via cif-deposit CGI script.	4108418.cif