Crystallography Open Database

Information card for entry 7714085

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Coordinates	7714085.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 acetonitrile solvate
Formula	C40 H29 B2 F8 Fe N11
Calculated formula	C40 H29 B2 F8 Fe N11
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	12.4421 ± 0.0003 Å
b	12.9696 ± 0.0003 Å
c	25.2174 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4069.31 ± 0.19 Å³
Cell temperature	119.99 ± 0.17 K
Ambient diffraction temperature	119.99 ± 0.17 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.2083
Weighted residual factors for all reflections included in the refinement	0.2281
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
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.	7714085.cif