Crystallography Open Database

Information card for entry 4104301

Preview

Coordinates	4104301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H100 Ga6 N4
Calculated formula	C72 H100 Ga6 N4
Title of publication	A Neutral Ga6 Octahedron: Synthesis, Structure, and Aromaticity
Authors of publication	Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Paul v. R. Schleyer; Gregory H. Robinson
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	3168 - 3169
a	19.6044 ± 0.0013 Å
b	22.9053 ± 0.0015 Å
c	32.804 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	14730.5 ± 1.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1176
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1483
Weighted residual factors for all reflections included in the refinement	0.1814
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
178789 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/43.	4104301.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104301.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104301.cif
28824	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 4104301 via cif-deposit CGI script.	4104301.cif