Crystallography Open Database

Information card for entry 4313968

Preview

Coordinates	4313968.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compound 2
Formula	C50 H93 Ga Li N O10 Si4
Calculated formula	C50 H93 Ga Li N O10 Si4
Title of publication	Neutral and Ionic Aluminum, Gallium, and Indium Compounds Carrying Two or Three Terminal Ethynyl Groups
Authors of publication	Marcus Schiefer; N. Dastagiri Reddy; Hans-Jürgen Ahn; Andreas Stasch; Herbert W. Roesky; A. Christine Schlicker; Hans-Georg Schmidt; Mathias Noltemeyer; Denis Vidovic
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	4970 - 4976
a	13.284 ± 0.017 Å
b	15.03 ± 0.014 Å
c	17.574 ± 0.017 Å
α	65.19 ± 0.08°
β	84.09 ± 0.07°
γ	79.29 ± 0.07°
Cell volume	3128 ± 6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0977
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1897
Weighted residual factors for all reflections included in the refinement	0.213
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4313968.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313968.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313968.cif
7040	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4313968 via cif-deposit CGI script.	4313968.cif