Crystallography Open Database

Information card for entry 4087683

Preview

Coordinates	4087683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H28 Ag4 F20
Calculated formula	C44 H28 Ag4 F20
SMILES	[c]12(c(c(c(c(c1F)F)F)F)F)[Ag]13[c]4(c(c(F)c(c(c4F)F)F)F)[Ag]43[c]3(c(c(c(c(c3F)F)F)F)F)[Ag]34[Ag]21[c]13c(c(F)c(c(F)c1F)F)F.c1c(c(c(cc1C)C)C)C.c1c(c(c(cc1C)C)C)C
Title of publication	Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates
Authors of publication	Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	15
Pages of publication	3893
a	11.7064 ± 0.0002 Å
b	20.1576 ± 0.0004 Å
c	9.1518 ± 0.0002 Å
α	90°
β	90.138 ± 0.001°
γ	90°
Cell volume	2159.57 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0294
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0502
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
236917 (current)	2019-11-24	cif/ Adding structures of 4087673, 4087674, 4087675, 4087676, 4087677, 4087678, 4087679, 4087680, 4087681, 4087682, 4087683, 4087684 via cif-deposit CGI script.	4087683.cif