Crystallography Open Database

Information card for entry 4074226

Preview

Coordinates	4074226.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(K-crypt)3[Si9Zn(C6H5)]*2py
Formula	C70 H123 K3 N8 O18 Si9 Zn
Calculated formula	C70 H120.765 K3 N8 O18 Si9 Zn
Title of publication	Organozinc Derivatives of Deltahedral Zintl Ions: Synthesis and Characterization ofcloso-[E9Zn(C6H5)]3-(E = Si, Ge, Sn, Pb)
Authors of publication	Goicoechea, Jose M.; Sevov, Slavi C.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	19
Pages of publication	4530
a	13.9464 ± 0.0005 Å
b	14.8743 ± 0.0006 Å
c	25.6457 ± 0.0009 Å
α	76.954 ± 0.002°
β	84.974 ± 0.002°
γ	67.988 ± 0.002°
Cell volume	4804.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1565
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.2521
Weighted residual factors for all reflections included in the refinement	0.2939
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
178631 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/42.	4074226.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074226.cif
48261	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074226, 4074227, 4074228, 4074229 via cif-deposit CGI script.	4074226.cif