Crystallography Open Database

Information card for entry 4316782

Preview

Coordinates	4316782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H104 Na4 O6
Calculated formula	C100 H104 Na4 O6
SMILES	[Na]123[O]45[Na]67[O]1(Cc1c4c(cc(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)Cc1cc(cc(c1[O]26[Na]12[O]47[Na]65[O]1(Cc1c4c(cc(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)Cc1cc(cc(c1[O]326)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
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	14.7006 ± 0.0006 Å
b	14.7006 ± 0.0006 Å
c	38.764 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8377.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	4316782.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316782.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316782.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' ) &	4316782.cif
10288	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316782 via cif-deposit CGI script.	4316782.cif