Crystallography Open Database

Information card for entry 4071949

4071948 << 4071949 >> 4071950

Preview

Coordinates	4071949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H58 Mg O5 S
Calculated formula	C54.5 H58 Mg O5 S
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	14.1759 ± 0.0011 Å
b	14.8279 ± 0.0012 Å
c	15.2796 ± 0.0011 Å
α	104.389 ± 0.002°
β	116.698 ± 0.001°
γ	98.781 ± 0.001°
Cell volume	2646.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1113
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2469
Weighted residual factors for all reflections included in the refinement	0.2706
Goodness-of-fit parameter for all reflections included in the refinement	1.48
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071949.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071949.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071949.cif
44140	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071949 via cif-deposit CGI script.	4071949.cif