Crystallography Open Database

Information card for entry 4071865

Preview

Coordinates	4071865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H56 Ge4 P2 Pd
Calculated formula	C54 H56 Ge4 P2 Pd
SMILES	[Pd]12([Ge]([Ge]([Ge]([Ge]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C)(C)CC[P]2(C)C
Title of publication	Mono- and Dinuclear Germapalladacycles Obtained via the Ge−Ge Bond Forming Reactions Promoted by Palladium Complexes
Authors of publication	Tanabe, Makoto; Ishikawa, Naoko; Hanzawa, Masaya; Osakada, Kohtaro
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	19
Pages of publication	5152
a	22.863 ± 0.004 Å
b	21.865 ± 0.003 Å
c	30.131 ± 0.005 Å
α	90°
β	101.893 ± 0.002°
γ	90°
Cell volume	14739 ± 4 Å³
Cell temperature	113.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
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.	4071865.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071865.cif
89308	2013-10-20	smi/4 Adding SMILES of phosphane complexes	4071865.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071865.cif
44087	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071863, 4071864, 4071865 via cif-deposit CGI script.	4071865.cif