Crystallography Open Database

Information card for entry 7111771

Preview

Coordinates	7111771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Ag2 F6 N4 O4
Calculated formula	C32 H28 Ag2 F6 N4 O4
SMILES	c1cc(cc[n]1[Ag][n]1ccc(cc1)C=C)C=C.C(=O)(C(F)(F)F)[O-]
Title of publication	Stereospecific and quantitative photodimerisation of terminal olefins in the solid state
Authors of publication	Georgiev, Ivan G.; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	27
Pages of publication	4956 - 4958
a	12.8602 ± 0.0014 Å
b	15.1102 ± 0.0016 Å
c	17.017 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3306.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
180231 (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 7/11/17.	7111771.cif
96772	2014-01-29	cif/ Adding structures of 7111765, 7111766, 7111767, 7111768, 7111769, 7111770, 7111771, 7111772 via cif-deposit CGI script.	7111771.cif