Crystallography Open Database

Information card for entry 4318841

Preview

Coordinates	4318841.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[mu-ClPd(PPh2OH)(PPh2O)]2, 13
Formula	C47.5 H43.5 Cl7 O4 P4 Pd2
Calculated formula	C49.5 H43.5 Cl6.505 O4 P4 Pd2
Title of publication	Synthesis and Characterization of Diametrically Substituted Tetra-O-n-butylcalix[4]arene Ligands and Their Chelated Complexes of Titanium, Molybdenum, and Palladium
Authors of publication	Daniel R. Evans; Mingsheng Huang; James C. Fettinger; Tracie L. Williams
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5986 - 6000
a	17.1973 ± 0.0019 Å
b	15.412 ± 0.0017 Å
c	20.417 ± 0.002 Å
α	90°
β	100.91 ± 0.002°
γ	90°
Cell volume	5313.6 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0886
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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.	4318841.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318841.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318841.cif
15568	2011-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4318841 via cif-deposit CGI script.	4318841.cif