Crystallography Open Database

Information card for entry 4082450

Preview

Coordinates	4082450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H49 Mg N2 O2 P
Calculated formula	C43 H49 Mg N2 O2 P
SMILES	[Mg]12([N](=C(C=P(N1c1c([O]2C)cccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1c(cccc1C)C)([O]1CCCC1)CCCC
Title of publication	Phosphinimino-amino Magnesium Complexes: Synthesis and Catalysis of Heteroselective ROP ofrac-Lactide
Authors of publication	Xie, Hongyan; Mou, Zehuai; Liu, Bo; Li, Ping; Rong, Weifeng; Li, Shihui; Cui, Dongmei
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	3
Pages of publication	722
a	40.804 ± 0.003 Å
b	10.8158 ± 0.0007 Å
c	17.1831 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	7583.4 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1898
Weighted residual factors for all reflections included in the refinement	0.2209
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
178713 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24.	4082450.cif
104407	2014-03-11	cif/ Adding structures of 4082446, 4082447, 4082448, 4082449, 4082450 via cif-deposit CGI script.	4082450.cif