Crystallography Open Database

Information card for entry 4102539

Preview

Coordinates	4102539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92.3 H102.75 Ga2 N4 O2.15
Calculated formula	C92.3 H102.75 Ga2 N4 O2.15
Title of publication	Reversible Addition of Alkynes to Gallium Complex of Chelating Diamide Ligand
Authors of publication	Igor L. Fedushkin; Alexander S. Nikipelov; Konstantin A. Lyssenko
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	7874 - 7875
a	17.3786 ± 0.0019 Å
b	26.579 ± 0.003 Å
c	17.903 ± 0.002 Å
α	90°
β	108.121 ± 0.002°
γ	90°
Cell volume	7859.3 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0593
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	4102539.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102539.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102539.cif
25420	2011-09-11	../uploads/cif-deposit/cod/cif Adding structures of 4102539 via cif-deposit CGI script.	4102539.cif