Crystallography Open Database

Information card for entry 7714087

Preview

Coordinates	7714087.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bromo[2,6-bis(imidazo[1,2â\/E?a]quinolin-2-yl)pyridine]bis(pyridine)iron(II) bromide hemihydrate
Formula	C37 H28 Br2 Fe N7 O0.5
Calculated formula	C37 H27 Br2 Fe N7 O0.5
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	12.8813 ± 0.0004 Å
b	14.1735 ± 0.0004 Å
c	19.6258 ± 0.0005 Å
α	90°
β	108.553 ± 0.004°
γ	90°
Cell volume	3396.93 ± 0.18 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	6
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	0.0748
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1639
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	7714087.cif