Crystallography Open Database

Information card for entry 4071945

4071944 << 4071945 >> 4071946

Preview

Coordinates	4071945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H127 Mg2 O8 S2
Calculated formula	C85 H127 Mg2 O8 S2
Title of publication	Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide
Authors of publication	Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	19
Pages of publication	4970
a	15.5879 ± 0.0018 Å
b	19.53 ± 0.002 Å
c	28.96 ± 0.003 Å
α	90°
β	102.972 ± 0.002°
γ	90°
Cell volume	8591.3 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1535
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1804
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	1.341
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
178608 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/19.	4071945.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071945.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071945.cif
44136	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071945 via cif-deposit CGI script.	4071945.cif