Crystallography Open Database

Information card for entry 1571507

Preview

Coordinates	1571507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.5 H90 B3 Mg N3 O6
Calculated formula	C55.5 H90 B3 Mg N3 O6
Title of publication	The borylamino-diborata-allyl anion.
Authors of publication	Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	21
Pages of publication	7999 - 8007
a	11.5951 ± 0.0001 Å
b	19.7465 ± 0.0001 Å
c	24.9374 ± 0.0002 Å
α	90°
β	96.33 ± 0.001°
γ	90°
Cell volume	5674.92 ± 0.07 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292931 (current)	2024-07-05	cif/ Updating files of 1571507, 1571508, 1571509, 1571510 Original log message: Adding full bibliography for 1571507--1571510.cif.	1571507.cif
291420	2024-05-01	cif/ Adding structures of 1571507, 1571508, 1571509, 1571510 via cif-deposit CGI script.	1571507.cif