Crystallography Open Database

Information card for entry 4340691

Preview

Coordinates	4340691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H38 Ga4 N6 Se6
Calculated formula	C18 H38 Ga4 N6 Se6
Title of publication	Synthesis and characterization of inorganic-organic hybrid gallium selenides.
Authors of publication	Ewing, Sarah J.; Vaqueiro, Paz
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	8845 - 8847
a	14.2095 ± 0.0008 Å
b	11.0633 ± 0.0006 Å
c	21.2998 ± 0.0011 Å
α	90°
β	105.253 ± 0.003°
γ	90°
Cell volume	3230.5 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for all reflections	0.0663
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	1.0507
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
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.	4340691.cif
122942	2014-09-06	cif/ Updating files of 4340690, 4340691 Original log message: Adding full bibliography for 4340690--4340691.cif.	4340691.cif
122007	2014-08-18	cif/ Adding structures of 4340690, 4340691 via cif-deposit CGI script.	4340691.cif