Crystallography Open Database

Information card for entry 7044156

Preview

Coordinates	7044156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.5 H71 Ga N2 O4.5
Calculated formula	C49 H67 Ga N2 O4
SMILES	C1C(C[N]2=Cc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O[Ga]32([N]1=Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O3)OCc1ccccc1)(C)C.C(c1ccccc1)O
Title of publication	Mononuclear Salen-gallium complexes for iso-selective ring-opening polymerization (ROP) of rac-lactide
Authors of publication	SPECKLIN, David; Fliedel, Christophe; Hild, Frédéric; Mameri, Samir; Karmazin, Lydia; Bailly, Corinne; Dagorne, Samuel
Journal of publication	Dalton Trans.
Year of publication	2017
a	13 ± 0.003 Å
b	13.848 ± 0.003 Å
c	14.499 ± 0.003 Å
α	76.215 ± 0.005°
β	74.526 ± 0.004°
γ	85.504 ± 0.005°
Cell volume	2442.8 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1888
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.2048
Weighted residual factors for all reflections included in the refinement	0.2651
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
200393 (current)	2017-09-09	cif/ Adding structures of 7044152, 7044153, 7044154, 7044155, 7044156 via cif-deposit CGI script.	7044156.cif