Crystallography Open Database

Information card for entry 4321845

Preview

Coordinates	4321845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 Cl0.5 N12 Pd
Calculated formula	C40.46 H30.32 Cl0.5 N12 Pd
Title of publication	Preparation, Spectroscopic Characterization, and Theoretical Study of the [Pd4(dmb)4(PPh3)2]Cl2 Complex (dmb = 1,8-Diisocyano-p-menthane) and Its Organometallic Polymer {[Pd4(dmb)5](CH3CO2)2}n: The First Examples of 58-Electron Linear Pd4 Clusters
Authors of publication	Tianle Zhang; Marc Drouin; Pierre D. Harvey
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	1305 - 1315
a	13.314 ± 0.002 Å
b	13.49 ± 0.002 Å
c	14.645 ± 0.002 Å
α	108.267 ± 0.01°
β	104.834 ± 0.01°
γ	101.221 ± 0.01°
Cell volume	2303.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1192
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1961
Weighted residual factors for all reflections included in the refinement	0.2241
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	1.5406 Å
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.	4321845.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321845.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321845.cif
19656	2011-05-22	../uploads/cif-deposit/cod/cif Adding structures of 4321845 via cif-deposit CGI script.	4321845.cif