Crystallography Open Database

Information card for entry 7716773

Preview

Coordinates	7716773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 F12 Fe N12 P2
Calculated formula	C20 H20 F12 Fe N12 P2
Title of publication	Anticancer potential of NSAID-derived tris(pyrazolyl)methane ligands in iron(II) sandwich complexes.
Authors of publication	Gobbo, Alberto; Pereira, Sarah A. P.; Mota, Fátima A R; Sinenko, Irina; Glinkina, Kseniya; Rocchi, Dario; Guelfi, Massimo; Biver, Tarita; Donati, Chiara; Zacchini, Stefano; Saraiva, M Lúcia M F S; Dyson, Paul J.; Marchetti, Fabio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	32
Pages of publication	13503 - 13514
a	7.501 ± 0.0006 Å
b	16.7642 ± 0.0014 Å
c	11.21 ± 0.001 Å
α	90°
β	93.792 ± 0.003°
γ	90°
Cell volume	1406.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1303
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294544 (current)	2024-09-06	cif/ Updating files of 7716773, 7716774 Original log message: Adding full bibliography for 7716773--7716774.cif.	7716773.cif
293585	2024-07-30	cif/ Adding structures of 7716773, 7716774 via cif-deposit CGI script.	7716773.cif