Crystallography Open Database

Information card for entry 4302869

Preview

Coordinates	4302869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H56 Ge4 N8 O Pd6 S12
Calculated formula	C25 H56 Ge4 N8 O Pd6 S12
SMILES	[Pd]123[S]4[Pd]56[S]7[Pd]89[S]%10[Pd]%11([S]%12[Pd]%13([S]9[Ge]97([S]6%13)[N](N)=C(C)CC9(C)C)[S]6[Pd]7([S]1[Ge]14([S]57)[N](N)=C(C)CC1(C)C)[S]%11[Ge]1%126[N](N)=C(C)CC1(C)C)[S]3[Ge]1%10([S]28)[N](N)=C(C)CC1(C)C.CO
Title of publication	Facile Access to the Hydrazone Functionalized PdGeS Cluster [{RNGe(μ-S)3}4Pd6] from the Thiogermanate Anion [{RNGe}2(μ-S)2S2]2-
Authors of publication	Mohammad Reza Halvagar; Zohreh Hassanzadeh Fard; Lin Xiong; Stefanie Dehnen
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7373 - 7377
a	11.994 Å
b	18.081 Å
c	23.356 Å
α	90°
β	94.5°
γ	90°
Cell volume	5049.45 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1257
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
179066 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/28.	4302869.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4302869.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302869.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302869.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302869.cif