Crystallography Open Database

Information card for entry 4074653

Preview

Coordinates	4074653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Cl6 Pd
Calculated formula	C18 H16 Cl6 Pd
Title of publication	Platinum(II) and Palladium(II) Dibenzo[a,e]cyclooctatetraene (DBCOT) Oxo and Halide Complexes: Comparison to 1,5-COD Analogues
Authors of publication	Singh, Anupam; Sharp, Paul R.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	3
Pages of publication	678
a	8.6556 ± 0.0005 Å
b	11.4257 ± 0.0006 Å
c	11.9665 ± 0.0007 Å
α	63.961 ± 0.001°
β	87.579 ± 0.001°
γ	78.227 ± 0.001°
Cell volume	1039.44 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
178635 (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 4/07/46.	4074653.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074653.cif
48633	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074652, 4074653, 4074654, 4074655 via cif-deposit CGI script.	4074653.cif