Crystallography Open Database

Information card for entry 4345166

Preview

Coordinates	4345166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C218 H100 Cu3 F48 N29 P6
Calculated formula	C218 H100 Cu3 F48 N29 P6
Title of publication	The Salts of Copper Octafluoro- and Hexadecafluorophthalocyanines Containing [Cu(II)(F8Pc)(4-)](2-) Dianions and [CuF16Pc](-) Monoanions.
Authors of publication	Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Ishikawa, Manabu; Faraonov, Maxim A.; Khasanov, Salavat S.; Litvinov, Alexey L.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	1804 - 1813
a	22.847 ± 0.001 Å
b	9.9281 ± 0.0003 Å
c	40.385 ± 0.001 Å
α	90°
β	97.718 ± 0.005°
γ	90°
Cell volume	9077.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0451
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.84344 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193428 (current)	2017-03-04	cif/ Updating files of 4345165, 4345166 Original log message: Adding full bibliography for 4345165--4345166.cif.	4345166.cif
191828	2017-02-07	cif/ Adding structures of 4345166 via cif-deposit CGI script.	4345166.cif