Crystallography Open Database

Information card for entry 4074061

Preview

Coordinates	4074061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H92 B2 F8 N10 Pd2 S2
Calculated formula	C94 H92 B2 F8 N10 Pd2 S2
Title of publication	Dipalladium Bis(μ-isopropylthiolato) Complexes with a [Pd2S2] Core Supported by N-Heterocyclic Carbenes
Authors of publication	Huynh, Han Vinh; Jothibasu, Ramasamy; Koh, Lip Lin
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	27
Pages of publication	6852
a	16.6078 ± 0.0006 Å
b	15.3151 ± 0.0006 Å
c	18.868 ± 0.0007 Å
α	90°
β	104.095 ± 0.001°
γ	90°
Cell volume	4654.6 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1178
Residual factor for significantly intense reflections	0.1077
Weighted residual factors for significantly intense reflections	0.2501
Weighted residual factors for all reflections included in the refinement	0.2551
Goodness-of-fit parameter for all reflections included in the refinement	1.28
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
178629 (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 4/07/40.	4074061.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074061.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4074061.cif
46709	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4074061 via cif-deposit CGI script.	4074061.cif