Crystallography Open Database

Information card for entry 1568972

Preview

Coordinates	1568972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H45 B Cl5 Ga N2
Calculated formula	C29 H45 B Cl5 Ga N2
Title of publication	Taming the parent oxoborane.
Authors of publication	Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	22
Pages of publication	5894 - 5898
a	10.1202 ± 0.0005 Å
b	16.297 ± 0.0008 Å
c	10.7828 ± 0.0005 Å
α	90°
β	107.539 ± 0.002°
γ	90°
Cell volume	1695.72 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
284892 (current)	2023-07-05	cif/ Updating files of 1568972, 1568973, 1568974 Original log message: Adding full bibliography for 1568972--1568974.cif.	1568972.cif
282859	2023-04-27	cif/ Adding structures of 1568972, 1568973, 1568974 via cif-deposit CGI script.	1568972.cif