Crystallography Open Database

Information card for entry 7014365

Preview

Coordinates	7014365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H37 N O2 P2 Pd S3
Calculated formula	C44 H37 N O2 P2 Pd S3
Title of publication	Unprecedented coordination of dithiocarbimate in multinuclear and heteroleptic complexes.
Authors of publication	Singh, Bandana; Drew, Michael G. B.; Kociok-Kohn, Gabriele; Molloy, Kieran C.; Singh, Nanhai
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	3
Pages of publication	623 - 631
a	16.3447 ± 0.0002 Å
b	18.3512 ± 0.0002 Å
c	25.548 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7662.99 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
179847 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/43.	7014365.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014365.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014365.cif
14736	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014363, 7014364, 7014365, 7014366 via cif-deposit CGI script.	7014365.cif