Crystallography Open Database

Information card for entry 4075514

Preview

Coordinates	4075514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H93 Na4 O4.5
Calculated formula	C62 H93 Na4 O4.5
Title of publication	Synthesis, Structure, and Catalytic Studies of Mixed Lithium−Magnesium and Sodium−Magnesium Complexes: Highly Isospecific Initiators for Polymerization of Methyl Methacrylate
Authors of publication	Hsueh, Mao-Lin; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh; Wu, Tzong-Ming; Hsu, Sung-Fu
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	17
Pages of publication	4144
a	36.162 ± 0.003 Å
b	14.5967 ± 0.001 Å
c	28.07 ± 0.002 Å
α	90°
β	101.804 ± 0.002°
γ	90°
Cell volume	14503.3 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1198
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1818
Weighted residual factors for all reflections included in the refinement	0.2099
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	4075514.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075514.cif
49285	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075514 via cif-deposit CGI script.	4075514.cif