Crystallography Open Database

Information card for entry 7021343

Preview

Coordinates	7021343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H47 Ag B F8 N5
Calculated formula	C46 H47 Ag B F8 N5
SMILES	CC#N.[Ag]1234[N]5(CC[N]1(Cc1cccc6c1cccc6)CC[N]2(Cc1cc(F)cc(F)c1)CC[N]3(Cc1cccc2c1[CH]4=CC=C2)CC5)Cc1cc(F)cc(F)c1.[B](F)(F)(F)[F-]
Title of publication	Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms.
Authors of publication	Habata, Yoichi; Oyama, Yosuke; Ikeda, Mari; Kuwahara, Shunsuke
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	23
Pages of publication	8212 - 8217
a	10.0718 ± 0.0009 Å
b	30.925 ± 0.003 Å
c	16.7058 ± 0.0011 Å
α	90°
β	126.958 ± 0.004°
γ	90°
Cell volume	4157.9 ± 0.7 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	6
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	0.0448
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
179918 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/13.	7021343.cif
86905	2013-07-12	cif/ Adding structures of 7021339, 7021340, 7021341, 7021342, 7021343, 7021344, 7021345 via cif-deposit CGI script.	7021343.cif