Crystallography Open Database

Information card for entry 7704980

Preview

Coordinates	7704980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H42 Br0.18 Cl1.82 Cu2 N3 O3 P3
Calculated formula	C27 H42.0001 Br0.181 Cl1.8189 Cu2 N3 O3.0001 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	14.2957 ± 0.0002 Å
b	14.2957 ± 0.0002 Å
c	17.8833 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	3165.11 ± 0.07 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	8
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7704980.cif
254722	2020-08-01	cif/ Adding structures of 7704978, 7704979, 7704980, 7704981, 7704982 via cif-deposit CGI script.	7704980.cif