Crystallography Open Database

Information card for entry 4082449

Preview

Coordinates	4082449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H59 Mg N2 O P
Calculated formula	C48 H59 Mg N2 O P
SMILES	[Mg]1([N](c2c(cccc2C)C)=C(C=P(N1c1c(cccc1C(C)C)C(C)C)(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	10.8506 ± 0.001 Å
b	22.03 ± 0.002 Å
c	18.7823 ± 0.0018 Å
α	90°
β	104 ± 0.002°
γ	90°
Cell volume	4356.3 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1107
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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.	4082449.cif
104407	2014-03-11	cif/ Adding structures of 4082446, 4082447, 4082448, 4082449, 4082450 via cif-deposit CGI script.	4082449.cif