Crystallography Open Database

Information card for entry 4337162

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Structure parameters

Formula	C44 H82 Mg3 N4 O6
Calculated formula	C44 H82 Mg3 N4 O6
Title of publication	Trinuclear and Tetranuclear Magnesium Alkoxide Clusters as Highly Active Initiators for Ring-Opening Polymerization of l-Lactide.
Authors of publication	Gao, Yuan; Dai, Zhongran; Zhang, Jinjin; Ma, Xinxian; Tang, Ning; Wu, Jincai
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	716 - 726
a	16.8271 ± 0.0005 Å
b	16.2974 ± 0.0004 Å
c	19.0381 ± 0.0006 Å
α	90°
β	108.324 ± 0.003°
γ	90°
Cell volume	4956.2 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.0657
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.7107 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.	4337162.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.	4337162.cif
106192	2014-03-15	cif/ Adding structures of 4337161, 4337162, 4337163, 4337164, 4337165 via cif-deposit CGI script.	4337162.cif