Crystallography Open Database

Information card for entry 4336417

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Structure parameters

Formula	C38 H52 Mg N2 O2 Si2
Calculated formula	C38 H52 Mg N2 O2 Si2
SMILES	[Mg]12(N([Si](C)(C)C)[Si](C)(C)C)[O](C)c3ccccc3c3ccccc3[N]1=Cc1cc(cc(c1O2)C(C)(C)C)C.c1ccccc1C
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	13.546 ± 0.01 Å
b	17.057 ± 0.013 Å
c	17.275 ± 0.012 Å
α	90°
β	96.899 ± 0.012°
γ	90°
Cell volume	3963 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1967
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.1984
Weighted residual factors for all reflections included in the refinement	0.2392
Goodness-of-fit parameter for all reflections included in the refinement	0.81
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
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.	4336417.cif
179467	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/64.	4336417.cif
102408	2014-02-20	cif/ Adding structures of 4336417 via cif-deposit CGI script.	4336417.cif