Crystallography Open Database

Information card for entry 1558794

Preview

Coordinates	1558794.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C33H33N6OCo2(C6F5CO2)2(ClO4)2(Et2O)
Formula	C51 H43 Cl2 Co2 F10 N6 O14
Calculated formula	C51 H43 Cl2 Co2 F10 N6 O14
Title of publication	Crystal Structure of (μ-Phenoxo)bis(μ-pentafluorobenzoate)dicobalt(II, III) Complex with a Dinucleating Ligand
Authors of publication	SHINDE, Naho; FURUTACHI, Hideki; SAKATA, Yoko; AKINE, Shigehisa; FUJINAMI, Shuhei; SUZUKI, Masatatsu
Journal of publication	X-ray Structure Analysis Online
Year of publication	2020
Journal volume	36
Journal issue	0
Pages of publication	23 - 25
a	11.1387 ± 0.0005 Å
b	11.5941 ± 0.0005 Å
c	21.7622 ± 0.0009 Å
α	88.1955 ± 0.0013°
β	76.0524 ± 0.0014°
γ	79.232 ± 0.0011°
Cell volume	2679.3 ± 0.2 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.039
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258169 (current)	2020-10-06	cif/ Updating files of 1558794 Original log message: Adding full bibliography for 1558794.cif.	1558794.cif
255112	2020-08-06	cif/ Adding structures of 1558794 via cif-deposit CGI script.	1558794.cif