Crystallography Open Database

Information card for entry 7108858

Preview

Coordinates	7108858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C184 H162 B8 F32 Fe4 N62 O12
Calculated formula	C184 H162 B8 F32 Fe4 N62 O12
Title of publication	A face-capped [Fe~4~L~4~]^8+^ spin crossover tetrahedral cage.
Authors of publication	Ferguson, Alan; Squire, Marie A.; Siretanu, Diana; Mitcov, Dmitri; Mathonière, Corine; Clérac, Rodolphe; Kruger, Paul E.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2013
Journal volume	49
Journal issue	16
Pages of publication	1597 - 1599
a	46.2462 ± 0.0008 Å
b	15.5937 ± 0.0003 Å
c	37.854 ± 0.003 Å
α	90°
β	123.814 ± 0.009°
γ	90°
Cell volume	22681 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
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	0.1571
Residual factor for significantly intense reflections	0.1416
Weighted residual factors for significantly intense reflections	0.4086
Weighted residual factors for all reflections included in the refinement	0.4335
Goodness-of-fit parameter for all reflections included in the refinement	1.6
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7108858.html