Crystallography Open Database

Information card for entry 4324897

Preview

Coordinates	4324897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H136 Cl4 N12 Pd4
Calculated formula	C136 H136 Cl4 N12 Pd4
Title of publication	Synthesis and Characterization of Pd Complexes of a Carbazolyl/Bis(Imine) NNN Pincer Ligand
Authors of publication	Aaron M. Hollas; Weixing Gu; Nattamai Bhuvanesh; Oleg V. Ozerov
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	3673 - 3679
a	13.7812 ± 0.0016 Å
b	11.62 ± 0.0013 Å
c	20.45 ± 0.003 Å
α	90°
β	118.777 ± 0.008°
γ	90°
Cell volume	2870.4 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0788
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	0.766
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179351 (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 4/32/48.	4324897.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324897.cif
43348	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324897 via cif-deposit CGI script.	4324897.cif