Crystallography Open Database

Information card for entry 4078506

Preview

Coordinates	4078506.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Pd(OPiv)2]3
Formula	C30 H54 O12 Pd3
Calculated formula	C30 H54 O12 Pd3
Title of publication	Mechanistic Insight into the Regioselective Palladation of Indole Derivatives: Tetranuclear Indolyl Palladacycles with High C2‒Pd or C3‒Pd Bond Selectivity
Authors of publication	Li, Yang; Wang, Wen-Hua; He, Ke-Han; Shi, Zhang-Jie
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	12
Pages of publication	4397
a	22.929 ± 0.002 Å
b	17.504 ± 0.002 Å
c	10.4044 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4175.8 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.127
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1592
Weighted residual factors for all reflections included in the refinement	0.2075
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178674 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/85.	4078506.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078506.cif
62401	2012-07-07	cif/ Adding structures of 4078506, 4078507, 4078508, 4078509, 4078510, 4078511, 4078512 via cif-deposit CGI script.	4078506.cif