Crystallography Open Database

Information card for entry 7701327

Preview

Coordinates	7701327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H57 B11 Cu P3
Calculated formula	C57 H57 B11 Cu P3
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	12.5248 ± 0.0008 Å
b	12.9185 ± 0.0008 Å
c	18.8957 ± 0.0009 Å
α	106.031 ± 0.005°
β	97.416 ± 0.004°
γ	104.435 ± 0.005°
Cell volume	2780.6 ± 0.3 Å³
Cell temperature	150.1 K
Ambient diffraction temperature	150.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1447
Weighted residual factors for all reflections included in the refinement	0.1726
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
219231 (current)	2019-10-10	cif/ Adding structures of 7701325, 7701326, 7701327, 7701328, 7701329, 7701330, 7701331, 7701332, 7701333, 7701334 via cif-deposit CGI script.	7701327.cif