Crystallography Open Database

Information card for entry 4087404

Preview

Coordinates	4087404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H47 Ga N2
Calculated formula	C30 H47 Ga N2
SMILES	[Ga](=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C)(C)C
Title of publication	Dialkylgallium Alkoxides Stabilized with N-Heterocyclic Carbenes: Opportunities and Limitations for the Controlled and Stereoselective Polymerization of rac-Lactide
Authors of publication	Horeglad, Paweł; Cybularczyk, Martyna; Trzaskowski, Bartosz; Żukowska, Grażyna Zofia; Dranka, Maciej; Zachara, Janusz
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	14
Pages of publication	3480
a	9.93095 ± 0.00014 Å
b	16.6032 ± 0.0004 Å
c	17.909 ± 0.0004 Å
α	83.4035 ± 0.0018°
β	75.2194 ± 0.0016°
γ	89.9091 ± 0.0015°
Cell volume	2835.14 ± 0.1 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	0.802
Diffraction radiation probe	x-ray
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
236778 (current)	2019-11-24	cif/ Adding structures of 4087404 via cif-deposit CGI script.	4087404.cif