Crystallography Open Database

Information card for entry 1571059

Preview

Coordinates	1571059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H31 B11 Cl2 N4 Si2
Calculated formula	C14 H31 B11 Cl2 N4 Si2
SMILES	Clc1c(N2B(N([Si](C)(C)C)N=N2)[C]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%15%169[BH]96%10[BH]6%10%15[C]279([Si](C)(C)C)[BH]24%10[BH]%12%166[BH]3%132[BH]58%11%14)c(Cl)ccc1
Title of publication	Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.
Authors of publication	Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	13
Pages of publication	4839 - 4845
a	10.099 ± 0.0002 Å
b	10.6588 ± 0.0001 Å
c	13.6478 ± 0.0002 Å
α	85.581 ± 0.001°
β	72.43 ± 0.001°
γ	72.345 ± 0.001°
Cell volume	1334.42 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.031
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290843 (current)	2024-04-05	cif/ Updating files of 1571058, 1571059, 1571060, 1571061 Original log message: Adding full bibliography for 1571058--1571061.cif.	1571059.cif
289930	2024-02-23	cif/ Adding structures of 1571058, 1571059, 1571060, 1571061 via cif-deposit CGI script.	1571059.cif