Crystallography Open Database

Information card for entry 4325446

Preview

Coordinates	4325446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H14 I3 O3 Pd n
Calculated formula	C11 H14 I3 N O3 Pd
Title of publication	Synthesis, Isolation, and Characterization of an Organometallic Triiodopalladium(IV) Complex. Quantitative and Regioselective Synthesis of Two C-I Reductive Elimination Products
Authors of publication	José Vicente; Aurelia Arcas; Francisco Juliá-Hernández; Delia Bautista
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5339 - 5341
a	9.328 ± 0.004 Å
b	13.261 ± 0.005 Å
c	13.698 ± 0.005 Å
α	90°
β	100.154 ± 0.006°
γ	90°
Cell volume	1667.9 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
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.	4325446.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325446.cif
44516	2012-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4325446 via cif-deposit CGI script.	4325446.cif