Crystallography Open Database

Information card for entry 4312426

Preview

Coordinates	4312426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H108 Ge2 N4 P2 Pd2 S2 Si8
Calculated formula	C42 H108 Ge2 N4 P2 Pd2 S2 Si8
SMILES	c1ccccc1.[Pd]12([P](CC)(CC)CC)[S]3[Ge](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[Pd]3([P](CC)(CC)CC)[S]1[Ge]2(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Reactions of Palladium Germylene Complexes: Formation of Sulfide Bridges
Authors of publication	Zuzanna T. Cygan; Jeff W. Kampf; Mark M. Banaszak Holl
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	7219 - 7226
a	11.287 ± 0.0013 Å
b	12.7506 ± 0.0015 Å
c	13.1569 ± 0.0015 Å
α	105.478 ± 0.002°
β	112.702 ± 0.002°
γ	90.475 ± 0.002°
Cell volume	1670.2 ± 0.3 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
179163 (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 4/31/24.	4312426.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312426.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312426.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4312426.cif
5439	2011-01-04	../uploads/cif-deposit/cod/cif Adding structures of 4312426 via cif-deposit CGI script.	4312426.cif