Crystallography Open Database

Information card for entry 7212778

Preview

Coordinates	7212778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H14 Ba F12 N8 O4
Calculated formula	C26 H14 Ba F12 N8 O4
Title of publication	Barium one-dimensional coordination polymers from barium β-diketonates and 2,2′-bipyrimidine derivatives
Authors of publication	Pointillart, Fabrice; Boubekeur, Kamal; Herson, Patrick; Train, Cyrille
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	11
Pages of publication	3430
a	11.9876 ± 0.0011 Å
b	12.0698 ± 0.0007 Å
c	12.3219 ± 0.0007 Å
α	66.622 ± 0.008°
β	86.49 ± 0.006°
γ	77.145 ± 0.009°
Cell volume	1594.7 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for all reflections	0.1091
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.0595
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7212778.cif
93274	2014-01-12	cif/ Adding structures of 7212777, 7212778, 7212779 via cif-deposit CGI script.	7212778.cif