Crystallography Open Database

Information card for entry 1572320

Preview

Coordinates	1572320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.88 H33.89 As1.98 B K3 N7 O55.99 W11.01
Calculated formula	C18.928 H31.928 As1.976 B K3 N7 O55.737 W11.012
Title of publication	Organofunctionalized borotungstate polyoxometalates as tunable photocatalysts for oxidative dimerization of amines.
Authors of publication	Tsang, Nicole; Kibler, Alexander J.; Argent, Stephen P.; Lam, Hon Wai; Jones, Kieran D.; Newton, Graham N.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	36
Pages of publication	14685 - 14691
a	12.186 Å
b	23.1617 ± 0.0001 Å
c	23.1375 ± 0.0001 Å
α	90°
β	97.73°
γ	90°
Cell volume	6471.18 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295185 (current)	2024-10-06	cif/ Updating files of 1572319, 1572320 Original log message: Adding full bibliography for 1572319--1572320.cif.	1572320.cif
294082	2024-08-13	cif/ Adding structures of 1572319, 1572320 via cif-deposit CGI script.	1572320.cif