Crystallography Open Database

Information card for entry 7209218

7209217 << 7209218 >> 7209219

Preview

Coordinates	7209218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 B2 Cu F8 N7 O4
Calculated formula	C17 H19 B2 Cu F8 N7 O4
Title of publication	Hydrogen bonding versus π-stacking in ferromagnetic interactions. Studies on a copper triazolopyridine complex
Authors of publication	Ramírez de Arellano, Carmen; Escrivà, Emilio; Gómez-García, Carlos J.; Mínguez Espallargas, Guillermo; Ballesteros, Rafael; Abarca, Belén
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	10
Pages of publication	1836
a	10.2636 ± 0.0004 Å
b	19.9663 ± 0.0007 Å
c	12.0807 ± 0.0005 Å
α	90°
β	99.979 ± 0.003°
γ	90°
Cell volume	2438.2 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
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	0.0493
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
180423 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/92.	7209218.cif
75537	2013-03-10	cif/ Adding structures of 7209218 via cif-deposit CGI script.	7209218.cif