Crystallography Open Database

Information card for entry 4074059

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Structure parameters

Formula	C24 H33 I2 N4 O0.5 Pd
Calculated formula	C24 H33 I2 N4 O0.5 Pd
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	10.8524 ± 0.0008 Å
b	15.9998 ± 0.0011 Å
c	16.1965 ± 0.0012 Å
α	90°
β	97.488 ± 0.002°
γ	90°
Cell volume	2788.3 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
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	0.075
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4074059.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4074059.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074059.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4074059.cif
46707	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4074059 via cif-deposit CGI script.	4074059.cif