Crystallography Open Database

Information card for entry 4313973

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Structure parameters

Chemical name	compound 7
Formula	C28.5 H43 Al N2
Calculated formula	C28.5 H43 Al N2
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	23.65 ± 0.03 Å
b	12.913 ± 0.004 Å
c	18.98 ± 0.005 Å
α	90°
β	93.64 ± 0.08°
γ	90°
Cell volume	5785 ± 8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1339
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.251
Weighted residual factors for all reflections included in the refinement	0.2958
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
301837 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure.	4313973.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4313973.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313973.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313973.cif
7045	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4313973 via cif-deposit CGI script.	4313973.cif