Crystallography Open Database

Information card for entry 7701331

Preview

Coordinates	7701331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H86 B22 Cu2 N2 O2 P2 Pd
Calculated formula	C32 H86 B22 Cu2 N2 O2 P2 Pd
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	15.7282 ± 0.0009 Å
b	10.9616 ± 0.0006 Å
c	17.0109 ± 0.0014 Å
α	90°
β	97.622 ± 0.006°
γ	90°
Cell volume	2906.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	8
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	0.0904
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	7701331.cif