Crystallography Open Database

Information card for entry 7718072

Preview

Coordinates	7718072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H21 Br12 Ho N4 O6
Calculated formula	C36 H21 Br12 Ho N4 O6
Title of publication	Redox, spectroscopic and magnetic properties of <i>C</i><sub>3</sub>-symmetric rare earth complexes featuring atypical <i>ortho</i>-dioxolene binding.
Authors of publication	Bagio, Stanley; González, Jonay; Gable, Robert W.; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	12
Pages of publication	5061 - 5074
a	13.1211 ± 0.0001 Å
b	13.1211 ± 0.0001 Å
c	46.2179 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	6890.99 ± 0.12 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
300981 (current)	2025-07-06	cif/ Updating files of 7718068, 7718069, 7718070, 7718071, 7718072, 7718073, 7718074, 7718075, 7718076, 7718077, 7718078 Original log message: Adding full bibliography for 7718068--7718078.cif.	7718072.cif
297785	2025-02-20	cif/ Adding structures of 7718068, 7718069, 7718070, 7718071, 7718072, 7718073, 7718074, 7718075, 7718076, 7718077, 7718078 via cif-deposit CGI script.	7718072.cif