Crystallography Open Database

Information card for entry 7134233

Preview

Coordinates	7134233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H38 B11 Cl N4
Calculated formula	C18 H38 B11 Cl N4
Title of publication	A σ,π-type monocarborane copper acetylide for regioselective 1,4-disubstituted 1,2,3-triazoles.
Authors of publication	Zhang, Kang; Feng, Luting; Jin, Yujie; Liu, Jiyong; Duttwyler, Simon
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	20
Pages of publication	4026 - 4029
a	11.4412 ± 0.0004 Å
b	20.7434 ± 0.0008 Å
c	11.2483 ± 0.0004 Å
α	90°
β	90.394 ± 0.001°
γ	90°
Cell volume	2669.49 ± 0.17 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
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	0.0489
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298777 (current)	2025-04-05	cif/ Updating files of 7134232, 7134233 Original log message: Adding full bibliography for 7134232--7134233.cif.	7134233.cif
297589	2025-02-05	cif/ Adding structures of 7134232, 7134233 via cif-deposit CGI script.	7134233.cif