Crystallography Open Database

Information card for entry 4328314

Preview

Coordinates	4328314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H73 N2 O3 P2 Y
Calculated formula	C58 H73 N2 O3 P2 Y
SMILES	[Y]123(Oc4c(P(=[N]2CC[N]3=P(c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cc(cc4C(C)(C)C)C(C)(C)C)OC(C)(C)C
Title of publication	Phosphasalen Yttrium Complexes: Highly Active and Stereoselective Initiators for Lactide Polymerization
Authors of publication	Thi-Phuong-Anh Cao; Antoine Buchard; Xavier F. Le Goff; Audrey Auffrant; Charlotte K. Williams
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2157 - 2169
a	20.514 ± 0.001 Å
b	27.064 ± 0.001 Å
c	22.12 ± 0.001 Å
α	90°
β	117.231 ± 0.001°
γ	90°
Cell volume	10919.7 ± 0.8 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
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	0.0702
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179386 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/83.	4328314.cif
77279	2013-03-26	cif/ Adding structures of 4328314 via cif-deposit CGI script.	4328314.cif