Crystallography Open Database

Information card for entry 7718341

Preview

Coordinates	7718341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 N6 O5 Si en lv so t
Calculated formula	C40 H28 N6 O5 Si
Title of publication	A chiral Si(iv) complex bearing a 1,2,4-triazole-2,2′-diphenol ligand: synthesis, (chiro-)optical properties and computational investigation
Authors of publication	Giuso, Valerio; Thierry, Thibault; Gourlaouen, Christophe; Mercandelli, Pierluigi; Vanthuyne, Nicolas; Mauro, Matteo; Bellemin-Laponnaz, Stéphane
Journal of publication	Dalton Transactions
Year of publication	2025
Journal volume	54
Journal issue	16
Pages of publication	6684 - 6693
a	12.131 ± 0.0004 Å
b	13.3101 ± 0.0004 Å
c	23.5722 ± 0.0005 Å
α	90°
β	98.597 ± 0.001°
γ	90°
Cell volume	3763.32 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
300830 (current)	2025-07-06	cif/ Updating files of 7718341 Original log message: Adding full bibliography for 7718341.cif.	7718341.cif
298482	2025-03-18	cif/ Adding structures of 7718341 via cif-deposit CGI script.	7718341.cif