Crystallography Open Database

Information card for entry 4336574

Preview

Coordinates	4336574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Cl5 Ga N2 O2
Calculated formula	C20 H12 Cl5 Ga N2 O2
SMILES	c1([n]2[Ga]3(Cl)(Oc4c(cc(c(c24)cc1)Cl)Cl)[n]1c(ccc2c(cc(c(c12)O3)Cl)Cl)C)C
Title of publication	8-Quinolinolato Gallium Complexes: Iso-selective Initiators for rac-Lactide Polymerization
Authors of publication	Clare Bakewell; Andrew J. P. White; Nicholas J. Long; Charlotte K. Williams
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12561 - 12567
a	18.6742 ± 0.0003 Å
b	7.35125 ± 0.0001 Å
c	16.3025 ± 0.0003 Å
α	90°
β	110.441 ± 0.0019°
γ	90°
Cell volume	2097.06 ± 0.06 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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