Crystallography Open Database

Information card for entry 7711708

Preview

Coordinates	7711708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H40 Cl2 Fe
Calculated formula	C44 H40 Cl2 Fe
SMILES	[Fe](c1c(cc(Cl)cc1c1c(cccc1C)C)c1c(cccc1C)C)c1c(cc(Cl)cc1c1c(cccc1C)C)c1c(cccc1C)C
Title of publication	Slow magnetic relaxation in Fe(II) m-terphenyl complexes
Authors of publication	Valentine, Andrew James; Geer, Ana M.; Blundell, Toby; Tovey, Will; Cliffe, Matthew; Davies, Edward Stephen; Argent, Stephen; Lewis, William; McMaster, Jonathan; Taylor, Laurence John; Reta, Daniel; Kays, Deborah Lorraine
Journal of publication	Dalton Transactions
Year of publication	2022
a	22.1189 ± 0.0002 Å
b	19.6861 ± 0.0002 Å
c	24.7347 ± 0.0002 Å
α	90°
β	95.993 ± 0.001°
γ	90°
Cell volume	10711.5 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0558
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1558
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279123 (current)	2022-11-09	cif/ Adding structures of 7711707, 7711708, 7711709, 7711710 via cif-deposit CGI script.	7711708.cif