Crystallography Open Database

Information card for entry 7246206

Preview

Coordinates	7246206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H60 Cu2 I2 N10 O3 P2
Calculated formula	C63 H60 Cu2 I2 N10 O3 P2
Title of publication	Structure and emission properties of dinuclear copper(i) complexes with pyridyltriazole
Authors of publication	Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Kryukova, Mariya; Karaush-Karmazin, Nataliya; Baryshnikov, Glib; Minaev, Boris; Linert, Wolfgang
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	6
Pages of publication	3899 - 3909
a	11.3677 ± 0.0006 Å
b	12.0415 ± 0.0006 Å
c	13.6045 ± 0.0007 Å
α	65.426 ± 0.002°
β	78.953 ± 0.002°
γ	64.641 ± 0.002°
Cell volume	1530.17 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
280647 (current)	2023-01-28	cif/ Adding structures of 7246206, 7246207, 7246208, 7246209, 7246210 via cif-deposit CGI script.	7246206.cif