Crystallography Open Database

Information card for entry 4314739

Preview

Coordinates	4314739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 N18 O18 Pd3
Calculated formula	C54.211 N18.021 O17.921 Pd3
Title of publication	Synthetic and Computational Studies on Factors Controlling Structures of Molecular Triangles and Squares and Their Equilibrium in Solutions
Authors of publication	Kazuhiro Uehara; Ko Kasai; Noritaka Mizuno
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2008 - 2015
a	17.3242 ± 0.0003 Å
b	15.0804 ± 0.0003 Å
c	17.3223 ± 0.0003 Å
α	90°
β	103.51 ± 0.001°
γ	90°
Cell volume	4400.33 ± 0.14 Å³
Cell temperature	153 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.2382
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179227 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/47.	4314739.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314739.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314739.cif
7882	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314739 via cif-deposit CGI script.	4314739.cif