Crystallography Open Database

Information card for entry 7064066

Preview

Coordinates	7064066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H38 Al N O3
Calculated formula	C31 H38 Al N O3
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	10.0565 ± 0.0003 Å
b	17.3648 ± 0.0005 Å
c	16.3601 ± 0.0006 Å
α	90°
β	103.934 ± 0.001°
γ	90°
Cell volume	2772.88 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	7064066.cif