Crystallography Open Database

Information card for entry 7714086

Preview

Coordinates	7714086.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis[2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine]iron(II)ditetrafluoroborate methanol (1.5/1.41) solvate
Formula	C39.5 H32 B2 F8 Fe N10 O1.5
Calculated formula	C39.5 H32 B2 F8 Fe N10 O1.5
Title of publication	Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors
Authors of publication	Kulmaczewski, Rafal; Halcrow, Malcolm
Journal of publication	Dalton Transactions
Year of publication	2023
a	25.2181 ± 0.0006 Å
b	12.455 ± 0.0002 Å
c	12.9419 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4064.94 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286630 (current)	2023-10-03	cif/ Adding structures of 7714085, 7714086, 7714087, 7714088, 7714089, 7714090, 7714091, 7714092, 7714093 via cif-deposit CGI script.	7714086.cif