Crystallography Open Database

Information card for entry 2312474

Preview

Coordinates	2312474.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{hydrobis[3-(furan-2-yl)pyrazol-1-yl][5-(furan-2-yl)pyrazol-1-yl]borato}dysprosium(III) tetraphenylborate
Formula	C66 H52 B3 Dy N12 O6
Calculated formula	C66 H52 B3 Dy N12 O6
Title of publication	Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes.
Authors of publication	Thomas, Jarrod R.; Sulway, Scott A.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	5
a	11.72 ± 0.0004 Å
b	11.9389 ± 0.0005 Å
c	21.9139 ± 0.0009 Å
α	75.579 ± 0.002°
β	76.715 ± 0.001°
γ	86.477 ± 0.001°
Cell volume	2890.2 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291251 (current)	2024-04-17	cif/ Adding structures of 2312472, 2312473, 2312474 via cif-deposit CGI script.	2312474.cif