Crystallography Open Database

Information card for entry 1571060

Preview

Coordinates	1571060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H63 B22 N5 Si4
Calculated formula	C23 H63 B22 N5 Si4
SMILES	[Si](N([Si](C)(C)C)B1N(N(N2[C]3456[C]789(B2N([Si](C)(C)C)[Si](C)(C)C)[BH]2%103[BH]3%119[BH]9%128[BH]847[BH]476[BH]652[BH]2%103[BH]376[BH]984[BH]%11%1223)[C]2345[C]6781[BH]192[BH]2%108[BH]8%117[BH]736[BH]365[BH]541[BH]192[BH]265[BH]873[BH]%10%1112)Cc1ccccc1)(C)(C)C
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	18.6315 ± 0.0018 Å
b	11.0376 ± 0.001 Å
c	22.7392 ± 0.0017 Å
α	90°
β	108.033 ± 0.003°
γ	90°
Cell volume	4446.5 ± 0.7 Å³
Cell temperature	99.99 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	5
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	0.0795
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
290843 (current)	2024-04-05	cif/ Updating files of 1571058, 1571059, 1571060, 1571061 Original log message: Adding full bibliography for 1571058--1571061.cif.	1571060.cif
289930	2024-02-23	cif/ Adding structures of 1571058, 1571059, 1571060, 1571061 via cif-deposit CGI script.	1571060.cif