Crystallography Open Database

Information card for entry 7134232

Preview

Coordinates	7134232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H61 B11 Cu N3 P2
Calculated formula	C28 H61 B11 Cu N3 P2
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	10.6546 ± 0.001 Å
b	12.1371 ± 0.0011 Å
c	16.1366 ± 0.0012 Å
α	80.076 ± 0.007°
β	84.718 ± 0.007°
γ	73.091 ± 0.008°
Cell volume	1964.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0633
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
298777 (current)	2025-04-05	cif/ Updating files of 7134232, 7134233 Original log message: Adding full bibliography for 7134232--7134233.cif.	7134232.cif
297589	2025-02-05	cif/ Adding structures of 7134232, 7134233 via cif-deposit CGI script.	7134232.cif