Crystallography Open Database

Information card for entry 1575058

Preview

Coordinates	1575058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 Cl N4 O3 Re
Calculated formula	C18 H14 Cl N4 O3 Re
Title of publication	Influence of Ligand Isomerism on the Photophysical Properties of AIPE-Active Rhenium(I) Complexes: Investigations with a 2-(1,2,3-Triazol-1-yl)pyridine (Tapy)-Based Complex and Its Triazolylidene Derivatives
Authors of publication	Abdallah, Abanoub Mosaad; Wolff, Mariusz; Leygue, Nadine; Deleuzière, Maëlle; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Benoist, Eric; Fery-Forgues, Suzanne
Journal of publication	Molecules
Year of publication	2025
Journal volume	30
Journal issue	13
Pages of publication	2776
a	9.3125 ± 0.0004 Å
b	12.2753 ± 0.0005 Å
c	16.5599 ± 0.0006 Å
α	88.747 ± 0.001°
β	88.494 ± 0.001°
γ	79.656 ± 0.001°
Cell volume	1861.33 ± 0.13 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
301197 (current)	2025-07-07	cif/ Adding structures of 1575055, 1575056, 1575057, 1575058 via cif-deposit CGI script.	1575058.cif