Crystallography Open Database

Information card for entry 7243091

Preview

Coordinates	7243091.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ammonium pentaborate
Formula	B5 H12 N O12
Calculated formula	B5 H12 N O12
Title of publication	Ligand-free (Z)-selective transfer semihydrogenation of alkynes catalyzed by in situ generated oxidizable copper nanoparticles
Authors of publication	Kusy, Rafał; Grela, Karol
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	15
Pages of publication	5494 - 5502
a	11.3246 ± 0.0003 Å
b	11.0147 ± 0.0003 Å
c	9.1513 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1141.51 ± 0.06 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
268827 (current)	2021-09-06	cif/ Updating files of 7243091 Original log message: Adding full bibliography for 7243091.cif.	7243091.cif
266627	2021-06-23	cif/ Adding structures of 7243091 via cif-deposit CGI script.	7243091.cif