Crystallography Open Database

Information card for entry 4082448

Preview

Coordinates	4082448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H55 Mg N2 O P
Calculated formula	C46 H55 Mg N2 O P
SMILES	[Mg]1([N](c2c(cccc2C)C)=C(C=P(N1c1c(cccc1CC)CC)(c1ccccc1)c1ccccc1)c1ccccc1)([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	18.0013 ± 0.0014 Å
b	19.5713 ± 0.0016 Å
c	23.3879 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	8239.8 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1454
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.1839
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	4082448.cif
104407	2014-03-11	cif/ Adding structures of 4082446, 4082447, 4082448, 4082449, 4082450 via cif-deposit CGI script.	4082448.cif