Crystallography Open Database

Information card for entry 4316784

Preview

Coordinates	4316784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H61 Li O4
Calculated formula	C41 H61 Li O4
Title of publication	Synthesis and Structural Studies of Lithium and Sodium Complexes with OOO-Tridentate Bis(phenolate) Ligands: Effective Catalysts for the Ring-Opening Polymerization of l-Lactide
Authors of publication	Yong Huang; Yueh-Hsuan Tsai; Wen-Chou Hung; Chieh-Shen Lin; Wei Wang; Jui-Hsien Huang; Saikat Dutta; Chu-Chieh Lin
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9416 - 9425
a	17.9623 ± 0.0007 Å
b	20.8957 ± 0.0007 Å
c	10.5572 ± 0.0004 Å
α	90°
β	97.082 ± 0.003°
γ	90°
Cell volume	3932.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1226
Residual factor for significantly intense reflections	0.094
Weighted residual factors for significantly intense reflections	0.3679
Weighted residual factors for all reflections included in the refinement	0.3866
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179247 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/67.	4316784.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316784.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316784.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4316784.cif
10290	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316784 via cif-deposit CGI script.	4316784.cif