Crystallography Open Database

Information card for entry 4344046

Preview

Coordinates	4344046.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Kcrypt)2{(Ge9R3)PdGe9R3)}.2MeCN
Formula	C47 H120 Ge9 K N3 O6 Pd0.5 Si12
Calculated formula	C47 H120 Ge9 K N3 O6 Pd0.5 Si12
Title of publication	Coordination of Tri-Substituted Nona-Germanium Clusters to Cu(I) and Pd(0).
Authors of publication	Li, Feng; Sevov, Slavi C.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	16
Pages of publication	8121 - 8125
a	15.5519 ± 0.0012 Å
b	16.8841 ± 0.0014 Å
c	18.1601 ± 0.0015 Å
α	64.778 ± 0.002°
β	79.495 ± 0.003°
γ	89.554 ± 0.003°
Cell volume	4228.4 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0496
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4344046.cif
160497	2015-10-06	cif/ Updating files of 4344046, 4344047 Original log message: Adding full bibliography for 4344046--4344047.cif.	4344046.cif
152938	2015-08-06	cif/ Adding structures of 4344046 via cif-deposit CGI script.	4344046.cif