Crystallography Open Database

Information card for entry 7717801

Preview

Coordinates	7717801.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	monometallic Zn(II) cryptate
Chemical name	[Zn(II)Li](BF4)2
Formula	C30 H36 B2 F8 N14 Zn
Calculated formula	C30 H36 B2 F8 N14 Zn
Title of publication	Testing mixed metal bimetallic, and monometallic, cryptates for electrocatalytic hydrogen evolution.
Authors of publication	Singh, Varinder; Robb, Matthew G.; Brooker, Sally
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	8
Pages of publication	3165 - 3173
a	9.534 ± 0.0002 Å
b	13.1923 ± 0.0004 Å
c	28.9592 ± 0.0006 Å
α	85.359 ± 0.002°
β	87.624 ± 0.002°
γ	76.78 ± 0.002°
Cell volume	3533.21 ± 0.15 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.065
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	1.207
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298262 (current)	2025-03-04	cif/ Updating files of 7717799, 7717800, 7717801 Original log message: Adding full bibliography for 7717799--7717801.cif.	7717801.cif
297254	2025-01-10	cif/ Adding structures of 7717799, 7717800, 7717801 via cif-deposit CGI script.	7717801.cif