Crystallography Open Database

Information card for entry 7721059

Preview

Coordinates	7721059.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DEG_BTrzPhen
Formula	C24 H28 N8 O5
Calculated formula	C24 H28 N8 O5
Title of publication	Development and Comparative Study of a Hydrophilic Bis-Triazolyl-Phenanthroline and Two Bis-Triazolyl-Pyridine Ligands
Authors of publication	Wan, Yong Qiang; Zhang, Yang Yang; Zhang, Shi Lin; Hao, Huai Xin; Bai, Ji Yao; Ma, Zhi Jun; Geng, Long; Wang, Zhipeng; Gallagher, John F.; Li, Jun; Mocilac, Pavle
Journal of publication	Dalton Transactions
Year of publication	2026
a	31.037 ± 0.003 Å
b	17.2042 ± 0.0016 Å
c	4.3924 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2345.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.2 ± 0.4 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306135 (current)	2026-05-30	cif/ Adding structures of 7721058, 7721059, 7721060 via cif-deposit CGI script.	7721059.cif