Crystallography Open Database

Information card for entry 4310746

Preview

Coordinates	4310746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H66 Ge N2 O2 P2 Pd S2 Si4
Calculated formula	C24 H66 Ge N2 O2 P2 Pd S2 Si4
SMILES	[Pd]1([P](CC)(CC)CC)([P](CC)(CC)CC)S[Ge](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)OS1=O
Title of publication	Insertion of SO2 into a Sulfide-Bridged M-Ge Bond: Synthesis, Characterization, and Reactivity of the O-Germyl-S-sulfoxylate
Authors of publication	Zuzanna T. Cygan; Jeff W. Kampf; Mark M. Banaszak Holl
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	2057 - 2063
a	9.8961 ± 0.0013 Å
b	38.098 ± 0.005 Å
c	21.789 ± 0.003 Å
α	90°
β	98.026 ± 0.002°
γ	90°
Cell volume	8134.5 ± 1.9 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	9
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	0.0968
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179146 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/07.	4310746.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310746.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310746.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4310746.cif
2235	2010-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4310746 via cif-deposit CGI script.	4310746.cif