Crystallography Open Database

Information card for entry 7701333

Preview

Coordinates	7701333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H62 B22 N2
Calculated formula	C22 H62 B22 N2
Title of publication	The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes
Authors of publication	Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon
Journal of publication	Dalton Transactions
Year of publication	2019
a	33.205 ± 0.004 Å
b	11.124 ± 0.001 Å
c	22.362 ± 0.003 Å
α	90°
β	110.903 ± 0.016°
γ	90°
Cell volume	7716.3 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1528
Residual factor for significantly intense reflections	0.0904
Weighted residual factors for significantly intense reflections	0.2466
Weighted residual factors for all reflections included in the refinement	0.3023
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
219231 (current)	2019-10-10	cif/ Adding structures of 7701325, 7701326, 7701327, 7701328, 7701329, 7701330, 7701331, 7701332, 7701333, 7701334 via cif-deposit CGI script.	7701333.cif