Crystallography Open Database

Information card for entry 4313969

Preview

Coordinates	4313969.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compound 3
Formula	C50 H93 In Li N O10 Si4
Calculated formula	C50 H93 In 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	13.441 ± 0.003 Å
b	15.106 ± 0.003 Å
c	17.374 ± 0.004 Å
α	65.49 ± 0.03°
β	83.97 ± 0.03°
γ	78.81 ± 0.03°
Cell volume	3147.5 ± 1.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0296
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179207 (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 4/31/39.	4313969.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313969.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313969.cif
7041	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4313969 via cif-deposit CGI script.	4313969.cif