Crystallography Open Database

Information card for entry 7063921

Preview

Coordinates	7063921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 Br2 Fe N5 O6
Calculated formula	C19 H24 Br2 Fe N5 O6
Title of publication	Broad Spin Crossover in an Iron(III) Schiff Base Complex with a cis-FeN4O2 Coordination Environment†
Authors of publication	Tesfaye, Dawit; Gebrezgiabher, Mamo; Braun, Jonas; Kuchár, Juraj; Černák, Juraj; Abebe, Atakilt; boulet, pascal; Kalarikkal, Nandakumar; Hochdörffer, Tim; Schunemann, Volker; Anson, Christopher E.; Thomas, Madhu; Powell, Annie K.
Journal of publication	New Journal of Chemistry
Year of publication	2025
a	9.7654 ± 0.0004 Å
b	21.4553 ± 0.0009 Å
c	23.0286 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4824.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
301372 (current)	2025-07-26	cif/ Adding structures of 7063920, 7063921 via cif-deposit CGI script.	7063921.cif