Crystallography Open Database

Information card for entry 7242754

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Structure parameters

Formula	C14 H16 Co F6 N4 O4 P
Calculated formula	C14 H16 Co F6 N4 O4 P
SMILES	[Co]123([NH2]CC(=O)O1)([NH2]CC(=O)O2)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide
Authors of publication	Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	27
Pages of publication	16326 - 16338
a	21.034 ± 0.0016 Å
b	8.2876 ± 0.0006 Å
c	25.1217 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	4379.2 ± 0.6 Å³
Cell temperature	172 ± 2 K
Ambient diffraction temperature	171.98 K
Number of distinct elements	7
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	0.0411
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7242754.cif
264851	2021-05-05	cif/ Adding structures of 7242748, 7242749, 7242750, 7242751, 7242752, 7242753, 7242754 via cif-deposit CGI script.	7242754.cif