Crystallography Open Database

Information card for entry 1520743

1520742 << 1520743 >> 1520744

Preview

Coordinates	1520743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H84 Ga Li N2 O2 Si3
Calculated formula	C47 H84 Ga Li N2 O2 Si3
Title of publication	Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights
Authors of publication	Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5719
a	11.5267 ± 0.0005 Å
b	18.7832 ± 0.0008 Å
c	24.68 ± 0.001 Å
α	90°
β	90.988 ± 0.004°
γ	90°
Cell volume	5342.6 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
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	0.0861
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
170930 (current)	2015-12-09	cif/ Updating files of 1520741, 1520742, 1520743, 1520744, 1520745, 1520746 Original log message: Adding full bibliography for 1520741--1520746.cif.	1520743.cif
139981	2015-07-04	cif/ Adding structures of 1520741, 1520742, 1520743, 1520744, 1520745, 1520746 via cif-deposit CGI script.	1520743.cif