Crystallography Open Database

Information card for entry 7711206

Preview

Coordinates	7711206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H64 Ag F3 N4 O5 S
Calculated formula	C67 H64 Ag F3 N4 O5 S
SMILES	[Ag]123[N]4(CC[N]1(CC[N]2(CC[N]3(CC4)Cc1ccccc1)Cc1ccc(OCc2c3ccccc3cc3ccccc23)cc1)Cc1ccccc1)Cc1ccc(OCc2c3ccccc3cc3ccccc23)cc1.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Argentivorous molecules with chromophores: dependence of fluorescence intensity on the distance between donor and acceptor
Authors of publication	Ju, Huiyeong; Hiraoka, Takao; Horita, Hiroki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi
Journal of publication	Dalton Transactions
Year of publication	2022
a	14.5272 ± 0.0013 Å
b	14.529 ± 0.0014 Å
c	15.8434 ± 0.0015 Å
α	94.4274 ± 0.0019°
β	99.9833 ± 0.0018°
γ	116.599 ± 0.0015°
Cell volume	2898.9 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
277737 (current)	2022-09-09	cif/ Adding structures of 7711206, 7711207 via cif-deposit CGI script.	7711206.cif