Crystallography Open Database

Information card for entry 7064065

Preview

Coordinates	7064065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 Al2 N2 O8
Calculated formula	C60 H72 Al2 N2 O8
Title of publication	Synthesis, Structure and DFT Calculation of Bi- and Tridentate Ketiminate Ligands Assisted Aluminum Complexes: Potential Catalyst for Styrene Oxide-CO2 Cycloaddition Reaction
Authors of publication	Datta, Amitabha; Chao, Yu-Chieh; Hung, Yu-Hsuan; Su, Yu-Chia; Ko, Bao-Tsan; Cheng, Ban-Jing; Hu, Ching-Han; Ting, Chien-Ling; Liu, Guan-Lin; Dehury, Budheswar; Huang, Jui-Hsien
Journal of publication	New Journal of Chemistry
Year of publication	2025
a	11.4459 ± 0.0006 Å
b	12.9358 ± 0.0007 Å
c	13.0353 ± 0.0007 Å
α	118.024 ± 0.002°
β	92.605 ± 0.002°
γ	108.159 ± 0.002°
Cell volume	1575.96 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.2036
Weighted residual factors for all reflections included in the refinement	0.2166
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
302908 (current)	2025-10-16	cif/ Adding structures of 7064063, 7064064, 7064065, 7064066, 7064067, 7064068 via cif-deposit CGI script.	7064065.cif