Crystallography Open Database

Information card for entry 7226015

Preview

Coordinates	7226015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H47 Ag2 Br2 Cl2 P3
Calculated formula	C55 H47 Ag2 Br2 Cl2 P3
SMILES	[Ag]1([Br][Ag]([Br]1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
Title of publication	Isolation and Characterization of Copper(III) Trifluoromethyl Complexes and Reactivity Studies of Aerobic Trifluoromethylation of Arylboronic Acids
Authors of publication	Zhang, Songlin; Bie, Wen-Feng
Journal of publication	RSC Adv.
Year of publication	2016
a	16.3137 ± 0.0007 Å
b	18.3199 ± 0.0009 Å
c	18.585 ± 0.0009 Å
α	90°
β	111.592 ± 0.001°
γ	90°
Cell volume	5164.6 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.0448
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0603
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
184640 (current)	2016-07-23	cif/ Adding structures of 7226013, 7226014, 7226015 via cif-deposit CGI script.	7226015.cif