Crystallography Open Database

Information card for entry 7714090

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Coordinates	7714090.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis[2,6-Bis(imidazo[1,2-a]pyrimidin-2-yl)pyridine]iron(II)ditetrafluoroborate acetone solvate
Formula	C37 H28 B2 F8 Fe N14 O
Calculated formula	C37 H28 B2 F8 Fe N14 O
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	13.2776 ± 0.0003 Å
b	13.2858 ± 0.0004 Å
c	13.6211 ± 0.0003 Å
α	102.783 ± 0.002°
β	101.448 ± 0.002°
γ	117.943 ± 0.003°
Cell volume	1938.57 ± 0.12 Å³
Cell temperature	120 ± 0.2 K
Ambient diffraction temperature	120 ± 0.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7714090.cif