Crystallography Open Database

Information card for entry 1563752

Preview

Coordinates	1563752.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Fe2(L4OIm-meta)3](BF4)4
Formula	C155 H189 B8 F32 Fe4 N59 O34
Calculated formula	C155 H189 B8 F32 Fe4 N59 O34
Title of publication	Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates
Authors of publication	Singh, Sandhya; Brooker, Sally
Journal of publication	Chemical Science
Year of publication	2021
a	12.7611 ± 0.0003 Å
b	15.2423 ± 0.0005 Å
c	25.9116 ± 0.0007 Å
α	92.82 ± 0.002°
β	101.815 ± 0.002°
γ	93.092 ± 0.002°
Cell volume	4916.7 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0892
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.1701
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
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
266758 (current)	2021-06-29	cif/ Adding structures of 1563751, 1563752, 1563753, 1563754, 1563755, 1563756, 1563757, 1563758, 1563759 via cif-deposit CGI script.	1563752.cif