Crystallography Open Database

Information card for entry 7111184

Preview

Coordinates	7111184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H70 Ag6 B5 F21 N12 O11
Calculated formula	C72 H70 Ag6 B5 F21 N12 O11
SMILES	[Ag]1[n]2c(C3=C4C5=C6c7[n]([Ag]89[Ag]([n]%10c6cccc%10)[n]6c(C%10=C%11C(=C%12c%13[n]([Ag]%14([Ag]([n]%15c(C(=C45)c4[n]([Ag]([F]8%14)[n]5c%10cccc5)cccc4)cccc%15)[n]4c%12cccc4)[n]4c3cccc4)cccc%13)C%11=C(c3[n]1cccc3)c1[n]9cccc1)cccc6)cccc7)cccc2.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O.O.O.O.O.O.O.O.O.O.O
Title of publication	Hexa(2-pyridyl)[3]radialene: self-assembly of a hexanuclear silver array
Authors of publication	Steel, Peter J.; Sumby, Christopher J.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	4
Pages of publication	322
a	21.89 ± 0.007 Å
b	15.011 ± 0.005 Å
c	27.729 ± 0.009 Å
α	90°
β	112.604 ± 0.004°
γ	90°
Cell volume	8412 ± 5 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	7
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	0.0885
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
180225 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/11.	7111184.cif
96333	2014-01-29	cif/ Adding structures of 7111184 via cif-deposit CGI script.	7111184.cif