Crystallography Open Database

Information card for entry 7022110

Preview

Coordinates	7022110.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis(2,6-bis(pyrimidin-4-yl)pyridine)iron(ii) ditetrafluoroborate tri-nitromethane solvate
Chemical name	Bis(2,6-bis(pyrimidin-4-yl)pyridine]iron(II) ditetrafluoroborate tri-nitromethane solvate
Formula	C29 H27 B2 F8 Fe N13 O6
Calculated formula	C29 H27 B2 F8 Fe N13 O6
Title of publication	Iron(II) and cobalt(II) complexes of tris-azinyl analogues of 2,2':6',2''-terpyridine.
Authors of publication	Cook, Laurence J Kershaw; Tuna, Floriana; Halcrow, Malcolm A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	6
Pages of publication	2254 - 2265
a	11.506 ± 0.002 Å
b	14.577 ± 0.003 Å
c	23.349 ± 0.004 Å
α	90°
β	96.533 ± 0.009°
γ	90°
Cell volume	3890.7 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1171
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.1944
Weighted residual factors for all reflections included in the refinement	0.2344
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179926 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/21.	7022110.cif
89979	2013-11-17	cif/ Adding structures of 7022108, 7022109, 7022110, 7022111 via cif-deposit CGI script.	7022110.cif