Crystallography Open Database

Information card for entry 7718132

Preview

Coordinates	7718132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H76 Cl6 Cu2 N6 O10 P4
Calculated formula	C92 H76 Cl6 Cu2 N6 O10 P4
Title of publication	A novel type of heteroleptic Cu(I) complexes featuring nitrogen-rich tetrazine ligands: Syntheses, Crystal Structures, Spectral properties, Cyclic Voltammetry, and Theoretical Calculations
Authors of publication	Sztula, Adam; Antal, Peter; Nemec, Ivan; Kubala, Martin; Herchel, Radovan
Journal of publication	Dalton Transactions
Year of publication	2025
a	11.39 ± 0.0001 Å
b	17.675 ± 0.0002 Å
c	20.959 ± 0.0002 Å
α	90°
β	94.859 ± 0.001°
γ	90°
Cell volume	4204.27 ± 0.07 Å³
Cell temperature	100 ± 0.12 K
Ambient diffraction temperature	100 ± 0.12 K
Number of distinct elements	7
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	0.0539
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
297856 (current)	2025-02-26	cif/ Adding structures of 7718132, 7718133, 7718134, 7718135 via cif-deposit CGI script.	7718132.cif