Crystallography Open Database

Information card for entry 1514970

Preview

Coordinates	1514970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H48 Ag2 B Cl F4 N12 O4
Calculated formula	C56 H48 Ag2 B Cl F4 N12 O4
SMILES	[Ag]1=C2N(N=C3N2[C@@H](COC3)c2ccccc2)c2cc(N3N=C4N(C3=[Ag]=C3N(N=C5N3[C@@H](COC5)c3ccccc3)c3cc(N5N=C6N(C=15)[C@@H](COC6)c1ccccc1)ccc3)[C@@H](COC4)c1ccccc1)ccc2.[Cl-].[B](F)(F)(F)[F-]
Title of publication	Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes
Authors of publication	Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	2
Pages of publication	359
a	22.2009 ± 0.0005 Å
b	22.2009 ± 0.0005 Å
c	12.58554 ± 0.00019 Å
α	90°
β	90°
γ	120°
Cell volume	5372.09 ± 0.19 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	177
Hermann-Mauguin space group symbol	P 6 2 2
Hall space group symbol	P 6 2
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1874
Weighted residual factors for all reflections included in the refinement	0.1963
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514970.cif
110831	2014-04-20	cif/ Adding structures of 1514969, 1514970, 1514971, 1514972, 1514973, 1514974, 1514975 via cif-deposit CGI script.	1514970.cif