Crystallography Open Database

Information card for entry 7711709

Preview

Coordinates	7711709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H58 Fe Si2
Calculated formula	C50 H58 Fe Si2
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	25.4389 ± 0.001 Å
b	11.5117 ± 0.0004 Å
c	47.1469 ± 0.0018 Å
α	90°
β	102.414 ± 0.004°
γ	90°
Cell volume	13483.9 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1103
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.1951
Weighted residual factors for all reflections included in the refinement	0.2115
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	7711709.cif