Crystallography Open Database

Information card for entry 7704979

Preview

Coordinates	7704979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H44 B2 Cl2 Cu2 F8 N3 P3
Calculated formula	C31 H44 B2 Cl2 Cu2 F8 N3 P3
Title of publication	Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.
Authors of publication	Shamsieva, Aliia V.; Musina, Elvira I.; Gerasimova, Tatiana P.; Strelnik, Igor D.; Strelnik, Anna G.; Kolesnikov, Ilya E.; Kalinichev, Alexey A.; Islamov, Daut R.; Samigullina, Aida I.; Lönnecke, Peter; Katsyuba, Sergey A.; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	34
Pages of publication	11997 - 12008
a	14.598 ± 0.002 Å
b	17.269 ± 0.002 Å
c	31.38 ± 0.004 Å
α	90°
β	100.502 ± 0.006°
γ	90°
Cell volume	7778.2 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1178
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
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
256102 (current)	2020-09-06	cif/ Updating files of 7704978, 7704979, 7704980, 7704981, 7704982 Original log message: Adding full bibliography for 7704978--7704982.cif.	7704979.cif
254722	2020-08-01	cif/ Adding structures of 7704978, 7704979, 7704980, 7704981, 7704982 via cif-deposit CGI script.	7704979.cif