Crystallography Open Database

Information card for entry 4321844

Preview

Coordinates	4321844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H104 N10 O8 Pd4
Calculated formula	C64.004 H96 N10 O8 Pd4
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	19.433 ± 0.002 Å
b	15.312 ± 0.002 Å
c	29.156 ± 0.002 Å
α	90°
β	98.841 ± 0.01°
γ	90°
Cell volume	8572.5 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1655
Residual factor for significantly intense reflections	0.0957
Weighted residual factors for significantly intense reflections	0.2931
Weighted residual factors for all reflections included in the refinement	0.3399
Goodness-of-fit parameter for all reflections included in the refinement	1.232
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179321 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/18.	4321844.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321844.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321844.cif
19655	2011-05-22	../uploads/cif-deposit/cod/cif Adding structures of 4321844 via cif-deposit CGI script.	4321844.cif