Crystallography Open Database

Information card for entry 4336419

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Structure parameters

Formula	C39.5 H56.5 Mg N3 O2 Si2
Calculated formula	C39.5 H56.5 Mg N3 O2 Si2
Title of publication	Magnesium and Calcium Complexes Containing Biphenyl-Based Tridentate Iminophenolate Ligands for Ring-Opening Polymerization of rac-Lactide
Authors of publication	Wei Yi; Haiyan Ma
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11821 - 11835
a	12.8011 ± 0.0019 Å
b	13.056 ± 0.002 Å
c	15.255 ± 0.002 Å
α	66.387 ± 0.002°
β	74.955 ± 0.003°
γ	61.162 ± 0.003°
Cell volume	2039.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1256
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4336419.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336419.cif
102410	2014-02-20	cif/ Adding structures of 4336419 via cif-deposit CGI script.	4336419.cif