Crystallography Open Database

Information card for entry 4082447

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Structure parameters

Formula	C44 H51 Mg N2 O P
Calculated formula	C44 H51 Mg N2 O P
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	16.5227 ± 0.0011 Å
b	19.163 ± 0.0013 Å
c	24.0933 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	7628.5 ± 0.9 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 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	0.1597
Residual factor for significantly intense reflections	0.1131
Weighted residual factors for significantly intense reflections	0.2941
Weighted residual factors for all reflections included in the refinement	0.3385
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4082447.cif
178713	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.	4082447.cif
104407	2014-03-11	cif/ Adding structures of 4082446, 4082447, 4082448, 4082449, 4082450 via cif-deposit CGI script.	4082447.cif