Crystallography Open Database

Information card for entry 7044152

Preview

Coordinates	7044152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 Ga N2 O3
Calculated formula	C25 H25 Ga N2 O3
SMILES	c12c(cccc1C=[N]1CC[N]3=Cc4c(c(ccc4)C)O[Ga]13(O2)OCc1ccccc1)C
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	9.1244 ± 0.0004 Å
b	9.6705 ± 0.0005 Å
c	13.0817 ± 0.0006 Å
α	80.651 ± 0.001°
β	71.163 ± 0.001°
γ	87.577 ± 0.001°
Cell volume	1077.9 ± 0.09 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	0.0365
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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