Crystallography Open Database

Information card for entry 4321584

Preview

Coordinates	4321584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 Ag Cl O4
Calculated formula	C34 H30 Ag Cl O4
SMILES	[Ag]123(OCl(=O)(=O)=O)([cH]4cc(cc[cH]14)C(=C(c1c[cH]2ccc1)c1ccccc1)c1ccccc1)[cH]1[cH]3c(ccc1C)C
Title of publication	Bridged Silver(I) Complexes of the Polycyclic Aromatic Compounds Tetraphenylethylene and 1,1,4,4-Tetraphenyl-1,3-butadiene
Authors of publication	Ichiro Ino; Liang Ping Wu; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Ryusuke Sakai
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5430 - 5436
a	12.345 ± 0.003 Å
b	9.253 ± 0.003 Å
c	25.376 ± 0.001 Å
α	90°
β	98.719 ± 0.001°
γ	90°
Cell volume	2865.2 ± 1.2 Å³
Cell temperature	295.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.2183
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4321584.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321584.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321584.cif
18957	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 4321584 via cif-deposit CGI script.	4321584.cif