Crystallography Open Database

Information card for entry 7129107

Preview

Coordinates	7129107.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	IR-LT-020(3L1M)
Formula	C61.62 H49.07 B2 F7.84 Fe N14.07 O3
Calculated formula	C61.626 H49.074 B2 F7.84 Fe N14.073 O3
Title of publication	Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.
Authors of publication	Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	85
Pages of publication	11252 - 11255
a	10.5589 ± 0.0007 Å
b	14.5471 ± 0.0009 Å
c	21.514 ± 0.0012 Å
α	71.694 ± 0.005°
β	81.751 ± 0.005°
γ	70.445 ± 0.006°
Cell volume	2953.7 ± 0.3 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1325
Residual factor for significantly intense reflections	0.0896
Weighted residual factors for significantly intense reflections	0.23
Weighted residual factors for all reflections included in the refinement	0.2558
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
270380 (current)	2021-11-06	cif/ Updating files of 7129106, 7129107, 7129108, 7129109, 7129110, 7129111, 7129112 Original log message: Adding full bibliography for 7129106--7129112.cif.	7129107.cif
269923	2021-10-14	cif/ Adding structures of 7129106, 7129107, 7129108, 7129109, 7129110, 7129111, 7129112 via cif-deposit CGI script.	7129107.cif