Crystallography Open Database

Information card for entry 4083612

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Coordinates	4083612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H94 Al2 N4 O4
Calculated formula	C64 H94 Al2 N4 O4
Title of publication	NHC Bis-Phenolate Aluminum Chelates: Synthesis, Structure, and Use in Lactide and Trimethylene Carbonate Polymerization
Authors of publication	Romain, Charles; Fliedel, Christophe; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	20
Pages of publication	5730
a	16.7066 ± 0.0007 Å
b	29.8057 ± 0.0014 Å
c	15.203 ± 0.0007 Å
α	90°
β	114.848 ± 0.001°
γ	90°
Cell volume	6869.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0888
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.2002
Weighted residual factors for all reflections included in the refinement	0.2183
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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